BD-1047 HBr | CAS#138356-21-5 | Sigma-1 Receptor Antagonist

BD1047 HBr
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 522998

CAS#: 138356-21-5 (HBr)

Description: BD1047 is a potent and selective Sigma-1 Receptor Antagonist. It has effects in animal studies suggestive of antipsychotic activity and may also be useful in the treatment of neuropathic pain. BD-1047 has >50-fold selectivity at σ1 over σ2 and also >100-fold selectivity over opiate, phencyclidine, muscarinic, dopamine, α1- & α2-adrenoceptor, 5-HT1, and 5-HT2.

Chemical Structure

BD1047 HBr

CAS# 138356-21-5 (HBr)

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 522998
Name: BD1047 HBr
CAS#: 138356-21-5 (HBr)
Chemical Formula: C13H22Br2Cl2N2
Exact Mass: 0.00
Molecular Weight: 437.041
Elemental Analysis: C, 35.73; H, 5.07; Br, 36.57; Cl, 16.22; N, 6.41

Price and Availability

Size	Price	Availability
10mg	USD 110	Ready to ship
25mg	USD 220	Ready to ship
50mg	USD 400	Ready to ship
100mg	USD 700	Ready to ship
200mg	USD 1250	Ready to ship
500mg	USD 2650	Ready to ship
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Related CAS #: 138356-20-4 (free base) 138356-21-5 (HBr)

Synonym: BD-1047; BD 1047; BD1047; BD-1047 HBr.

IUPAC/Chemical Name: N1-(3,4-dichlorophenethyl)-N1,N2,N2-trimethylethane-1,2-diamine dihydrobromide

InChi Key: WOALTFHGLDVJHK-UHFFFAOYSA-N

InChi Code: InChI=1S/C13H20Cl2N2.2BrH/c1-16(2)8-9-17(3)7-6-11-4-5-12(14)13(15)10-11;;/h4-5,10H,6-9H2,1-3H3;2*1H

SMILES Code: CN(CCN(CCC1=CC=C(Cl)C(Cl)=C1)C)C.[H]Br.[H]Br

Appearance: Solid powder

Purity: >97% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Product Data:

Product Data

Certificate of Analysis:

View CoA: current batch, Lot# T22D06P28

QC Data:

View QC data: current batch, Lot# T22D06P28

Safety Data Sheet (SDS):

View Safety Data Sheet (SDS)

Instruction:

View handling instruction

Biological target:	BD1047 is a Sigma-1 Receptor Antagonist.
In vitro activity:	The administration of BD1047 significantly decreased the levels of mTOR and Camk2γ expression compared with those of the F group in the cultured N2a cells (P<0.01; Figs. 1 and 2). Moreover, BD1047 significantly increased the levels of GSK-3β expression compared with those of the F group in the cultured N2a cells (P<0.01; Fig. 3). Reference: Exp Ther Med. 2014 Feb;7(2):435-438. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3881039/
In vivo activity:	To investigate the role of sigma-1 receptor in initiation of BCP (bone cancer pain), mechanical allodynia was measured in BCP rats after a continuous administration of the selective sigma-1 receptor antagonist BD1047 injection. A continuous drug administration of BD1047 (120 nmol/20 μL, once a day for 3 consecutive days) from day 5 to day 7 was used after inoculation with Walker 256 cells. There were no significant differences in baseline PWT (paw withdrawal threshold) among all groups (n = 10, P > 0.05). Compared with normal saline-treated (NS-treated) sham group, there were no remarkable changes of PWT in BD1047-treated sham group (P > 0.05; Figure 3). BCP group exhibited a decrease of PWT compared with sham group on day 5. Intrathecal administration of BD1047 significantly alleviated bone cancer induced mechanical allodynia compared with NS-treated BCP group (P < 0.01; Figure 3). Reference: Mediators Inflamm. 2015;2015:265056. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4677253/

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	Water	87.0	199.06
	DMSO	50.0	114.41

Preparing Stock Solutions

The following data is based on the product molecular weight 437.04 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:	1. Zhu S, Wang C, Han Y, Song C, Hu X, Liu Y. Sigma-1 Receptor Antagonist BD1047 Reduces Mechanical Allodynia in a Rat Model of Bone Cancer Pain through the Inhibition of Spinal NR1 Phosphorylation and Microglia Activation. Mediators Inflamm. 2015;2015:265056. doi: 10.1155/2015/265056. Epub 2015 Nov 30. PMID: 26696751; PMCID: PMC4677253. 2. Kwon YB, Jeong YC, Kwon JK, Son JS, Kim KW. The Antinociceptive Effect of Sigma-1 Receptor Antagonist, BD1047, in a Capsaicin Induced Headache Model in Rats. Korean J Physiol Pharmacol. 2009 Dec;13(6):425-9. doi: 10.4196/kjpp.2009.13.6.425. Epub 2009 Dec 31. PubMed PMID: 20054487; PubMed Central PMCID: PMC2802301.
In vitro protocol:	1. Su DA, Jiang RY, Liu N, Ding LC, Wang DM, Yu HY, Yan ES, Zhu MH, Zhu B. Effects of BD1047, a σ1 receptor antagonist, on the expression of mTOR, Camk2γ and GSK-3β in fluvoxamine-treated N2a cells. Exp Ther Med. 2014 Feb;7(2):435-438. doi: 10.3892/etm.2013.1438. Epub 2013 Dec 5. PMID: 24396420; PMCID: PMC3881039.
In vivo protocol:	1. Zhu S, Wang C, Han Y, Song C, Hu X, Liu Y. Sigma-1 Receptor Antagonist BD1047 Reduces Mechanical Allodynia in a Rat Model of Bone Cancer Pain through the Inhibition of Spinal NR1 Phosphorylation and Microglia Activation. Mediators Inflamm. 2015;2015:265056. doi: 10.1155/2015/265056. Epub 2015 Nov 30. PMID: 26696751; PMCID: PMC4677253. 2. Kwon YB, Jeong YC, Kwon JK, Son JS, Kim KW. The Antinociceptive Effect of Sigma-1 Receptor Antagonist, BD1047, in a Capsaicin Induced Headache Model in Rats. Korean J Physiol Pharmacol. 2009 Dec;13(6):425-9. doi: 10.4196/kjpp.2009.13.6.425. Epub 2009 Dec 31. PubMed PMID: 20054487; PubMed Central PMCID: PMC2802301.

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*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

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1: Zhu S, Wang C, Han Y, Song C, Hu X, Liu Y. Sigma-1 Receptor Antagonist BD1047 Reduces Mechanical Allodynia in a Rat Model of Bone Cancer Pain through the Inhibition of Spinal NR1 Phosphorylation and Microglia Activation. Mediators Inflamm. 2015;2015:265056. doi: 10.1155/2015/265056. Epub 2015 Nov 30. PubMed PMID: 26696751; PubMed Central PMCID: PMC4677253.

2: Jeong YC, Son JS, Kwon YB. The spinal antinociceptive mechanism determined by systemic administration of BD1047 in zymosan-induced hyperalgesia in rats. Brain Res Bull. 2015 Oct;119(Pt A):93-100. doi: 10.1016/j.brainresbull.2015.07.006. Epub 2015 Oct 1. PubMed PMID: 26434709.

3: Yoon SY, Kang SY, Kim HW, Kim HC, Roh DH. Clonidine Reduces Nociceptive Responses in Mouse Orofacial Formalin Model: Potentiation by Sigma-1 Receptor Antagonist BD1047 without Impaired Motor Coordination. Biol Pharm Bull. 2015;38(9):1320-7. doi: 10.1248/bpb.b15-00183. PubMed PMID: 26328487.

4: Su DA, Jiang RY, Liu N, Ding LC, Wang DM, Yu HY, Yan ES, Zhu MH, Zhu B. Effects of BD1047, a σ(1) receptor antagonist, on the expression of mTOR, Camk2γ and GSK-3β in fluvoxamine-treated N2a cells. Exp Ther Med. 2014 Feb;7(2):435-438. Epub 2013 Dec 5. PubMed PMID: 24396420; PubMed Central PMCID: PMC3881039.

5: Roh DH, Yoon SY. Sigma-1 receptor antagonist, BD1047 reduces nociceptive responses and phosphorylation of p38 MAPK in mice orofacial formalin model. Biol Pharm Bull. 2014;37(1):145-51. Epub 2013 Oct 24. PubMed PMID: 24152609.

6: Son JS, Kwon YB. Sigma-1 Receptor Antagonist BD1047 Reduces Allodynia and Spinal ERK Phosphorylation Following Chronic Compression of Dorsal Root Ganglion in Rats. Korean J Physiol Pharmacol. 2010 Dec;14(6):359-64. doi: 10.4196/kjpp.2010.14.6.359. Epub 2010 Dec 31. PubMed PMID: 21311675; PubMed Central PMCID: PMC3034114.

7: Fritz M, Klement S, El Rawas R, Saria A, Zernig G. Sigma1 receptor antagonist BD1047 enhances reversal of conditioned place preference from cocaine to social interaction. Pharmacology. 2011;87(1-2):45-8. doi: 10.1159/000322534. Epub 2010 Dec 29. PubMed PMID: 21196793.

8: Kwon YB, Jeong YC, Kwon JK, Son JS, Kim KW. The Antinociceptive Effect of Sigma-1 Receptor Antagonist, BD1047, in a Capsaicin Induced Headache Model in Rats. Korean J Physiol Pharmacol. 2009 Dec;13(6):425-9. doi: 10.4196/kjpp.2009.13.6.425. Epub 2009 Dec 31. PubMed PMID: 20054487; PubMed Central PMCID: PMC2802301.

9: Roh DH, Kim HW, Yoon SY, Seo HS, Kwon YB, Kim KW, Han HJ, Beitz AJ, Na HS, Lee JH. Intrathecal injection of the sigma(1) receptor antagonist BD1047 blocks both mechanical allodynia and increases in spinal NR1 expression during the induction phase of rodent neuropathic pain. Anesthesiology. 2008 Nov;109(5):879-89. doi: 10.1097/ALN.0b013e3181895a83. PubMed PMID: 18946301.

10: McCracken KA, Bowen WD, de Costa BR, Matsumoto RR. Two novel sigma receptor ligands, BD1047 and LR172, attenuate cocaine-induced toxicity and locomotor activity. Eur J Pharmacol. 1999 Apr 16;370(3):225-32. PubMed PMID: 10334496.

11: Zambon AC, De Costa BR, Kanthasamy AG, Nguyen BQ, Matsumoto RR. Subchronic administration of N-[2-(3,4-dichlorophenyl) ethyl]-N-methyl-2-(dimethylamino) ethylamine (BD1047) alters sigma 1 receptor binding. Eur J Pharmacol. 1997 Apr 11;324(1):39-47. PubMed PMID: 9137911.

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