MDR-652 | CAS# 1933528-96-1 | (TRPV1) agonist

MDR-652
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 465015

CAS#: 1933528-96-1

Description: MDR-652 is a nonpungent transient receptor potential vanilloid 1 (TRPV1) agonist discovered to be a strong topical analgesic.

Chemical Structure

MDR-652

CAS# 1933528-96-1

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 465015
Name: MDR-652
CAS#: 1933528-96-1
Chemical Formula: C22H23ClFN3O2S
Exact Mass: 447.12
Molecular Weight: 447.953
Elemental Analysis: C, 58.99; H, 5.18; Cl, 7.91; F, 4.24; N, 9.38; O, 7.14; S, 7.16

Price and Availability

Size	Price	Availability
50mg	USD 750	2 Weeks
100mg	USD 1250	2 Weeks
200mg	USD 1950	2 Weeks
500mg	USD 3450	2 Weeks
1g	USD 4850	2 Weeks
2g	USD 7950	2 Weeks
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 #: 1933528-96-1;

Synonym: MDR-652; MDR652; MDR 652;

IUPAC/Chemical Name: 1-((2-(tert-butyl)-4-(3-chlorophenyl)thiazol-5-yl)methyl)-3-(3-fluoro-4-(hydroxymethyl)phenyl)urea

InChi Key: HKMPJRGWSUCANB-UHFFFAOYSA-N

InChi Code: InChI=1S/C22H23ClFN3O2S/c1-22(2,3)20-27-19(13-5-4-6-15(23)9-13)18(30-20)11-25-21(29)26-16-8-7-14(12-28)17(24)10-16/h4-10,28H,11-12H2,1-3H3,(H2,25,26,29)

SMILES Code: ClC1=CC=CC(C2=C(CNC(NC3=CC=C(CO)C(F)=C3)=O)SC(C(C)(C)C)=N2)=C1

Appearance: Solid powder

Purity: >98% (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

Shelf Life: >3 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

Instruction:

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Biological target:	MDR-652 is a highly specific and efficacious transient receptor potential vanilloid 1 (TRPV1) ligand with agonist activity.
In vitro activity:	TBD
In vivo activity:	Here, this study describes the scaled-up synthesis and characterization in mouse models of a novel, nonpungent vanilloid. Potent analgesic activity was observed in models of neuropathic pain, and the compound blocked capsaicin induced allodynia, showing dermal accumulation with little transdermal absorption. Reference: J Med Chem. 2020 Jan 9;63(1):418-424. https://pubmed.ncbi.nlm.nih.gov/31702924/

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMSO	170.0	379.50
	Ethanol	90.0	200.91

Preparing Stock Solutions

The following data is based on the product molecular weight 447.95 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:	Ann J, Kim HS, Thorat SA, Kim H, Ha HJ, Choi K, Kim YH, Kim M, Hwang SW, Pearce LV, Esch TE, Turcios NA, Blumberg PM, Lee J. Discovery of Nonpungent Transient Receptor Potential Vanilloid 1 (TRPV1) Agonist as Strong Topical Analgesic. J Med Chem. 2020 Jan 9;63(1):418-424. doi: 10.1021/acs.jmedchem.9b01046. Epub 2019 Nov 26. PMID: 31702924.
In vitro protocol:	TBD
In vivo protocol:	Ann J, Kim HS, Thorat SA, Kim H, Ha HJ, Choi K, Kim YH, Kim M, Hwang SW, Pearce LV, Esch TE, Turcios NA, Blumberg PM, Lee J. Discovery of Nonpungent Transient Receptor Potential Vanilloid 1 (TRPV1) Agonist as Strong Topical Analgesic. J Med Chem. 2020 Jan 9;63(1):418-424. doi: 10.1021/acs.jmedchem.9b01046. Epub 2019 Nov 26. PMID: 31702924.

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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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Discovery of Nonpungent Transient Receptor Potential Vanilloid 1 (TRPV1) Agonist as Strong Topical Analgesic.
Jihyae AnnHo Shin KimShivaji A. ThoratHee KimHee-Jin HaKwanghyun ChoiYoung-Ho KimMinseok KimSun Wook HwangLarry V. PearceTimothy E. EschNoe A. TurciosPeter M. BlumbergJeewoo Lee*. Journal of Medicinal Chemistry, Articles ASAP (Brief Article)Subscribed Access
Publication Date (Web):November 8, 2019.

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