BMS-694153

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

MedKoo CAT#: 522584

CAS#: 1050381-35-5

Description: BMS-694153 is a potent and selective CGRP receptor antagonist. Calcitonin gene-related peptide (CGRP) has been implicated in the pathogenesis of migraine.

Chemical Structure

BMS-694153

CAS# 1050381-35-5

Instruction

Theoretical Analysis

MedKoo Cat#: 522584
Name: BMS-694153
CAS#: 1050381-35-5
Chemical Formula: C35H45FN8O3
Exact Mass: 644.36
Molecular Weight: 644.796
Elemental Analysis: C, 65.20; H, 7.03; F, 2.95; N, 17.38; O, 7.44

Price and Availability

Size	Price	Availability	Quantity
10mg	USD -2
25mg	USD -2
50mg	USD -2
100mg	USD -2
200mg	USD -2
500mg	USD -2
2g	USD -2
1g	USD -1
5g	USD -1
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.

Synonym: BMS-694153; BMS 694153; BMS694153.

IUPAC/Chemical Name: (R)-N-(1-([1,4'-bipiperidin]-1'-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl)-4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3(2H)-yl)piperidine-1-carboxamide

InChi Key: HBOINTMVWRSZQS-SSEXGKCCSA-N

InChi Code: InChI=1S/C35H45FN8O3/c1-23-18-24(19-26-21-37-40-31(23)26)20-30(33(45)42-14-8-27(9-15-42)41-12-3-2-4-13-41)38-34(46)43-16-10-28(11-17-43)44-22-25-6-5-7-29(36)32(25)39-35(44)47/h5-7,18-19,21,27-28,30H,2-4,8-17,20,22H2,1H3,(H,37,40)(H,38,46)(H,39,47)/t30-/m1/s1

SMILES Code: CC1=C2C(=CC(=C1)C[C@H](C(=O)N3CCC(CC3)N4CCCCC4)NC(=O)N5CCC(CC5)N6CC7=C(C(=CC=C7)F)NC6=O)C=NN2

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, 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:

Instruction:

View handling instruction

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 644.80 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:
In vitro protocol:
In vivo protocol:

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1: Zheng N, Buzescu A, Pasas-Farmer S, Arnold ME, Ouyang Z, Jemal M, Peng Q, Van Vleet T, Zeng J. A simplified and completely automated workflow for regulated LC-MS/MS bioanalysis using cap-piercing direct sampling and evaporation-free solid phase extraction. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Mar 15;921-922:64-74. doi: 10.1016/j.jchromb.2013.01.028. Epub 2013 Feb 4. PubMed PMID: 23435343.

2: Luo G, Chen L, Pin SS, Xu C, Conway CM, Macor JE, Dubowchik GM. Calcitonin gene-related peptide (CGRP) receptor antagonists: novel aspartates and succinates. Bioorg Med Chem Lett. 2012 Apr 15;22(8):2912-6. doi: 10.1016/j.bmcl.2012.02.066. Epub 2012 Mar 3. PubMed PMID: 22429471.

3: Luo G, Chen L, Civiello R, Pin SS, Xu C, Kostich W, Kelley M, Conway CM, Macor JE, Dubowchik GM. Calcitonin gene-related peptide (CGRP) receptor antagonists: pyridine as a replacement for a core amide group. Bioorg Med Chem Lett. 2012 Apr 15;22(8):2917-21. doi: 10.1016/j.bmcl.2012.02.065. Epub 2012 Mar 3. PubMed PMID: 22429470.

4: Fischer MJ. Calcitonin gene-related peptide receptor antagonists for migraine. Expert Opin Investig Drugs. 2010 Jul;19(7):815-23. doi: 10.1517/13543784.2010.490829. Review. PubMed PMID: 20482328.

5: Degnan AP, Conway CM, Dalterio RA, Macci R, Mercer SE, Schartman R, Xu C, Dubowchik GM, Macor JE. Carbamates as potent calcitonin gene-related peptide antagonists with improved solution stability. Bioorg Med Chem Lett. 2009 Jul 1;19(13):3555-8. doi: 10.1016/j.bmcl.2009.04.150. Epub 2009 May 8. PubMed PMID: 19467597.

6: Degnan AP, Chaturvedula PV, Conway CM, Cook DA, Davis CD, Denton R, Han X, Macci R, Mathias NR, Moench P, Pin SS, Ren SX, Schartman R, Signor LJ, Thalody G, Widmann KA, Xu C, Macor JE, Dubowchik GM. Discovery of (R)-4-(8-fluoro-2-oxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(3-(7-methyl-1H-indazol-5 -yl)-1-oxo-1-(4-(piperidin-1-yl)piperidin-1-yl)propan-2-yl)piperidine-1-carboxami de (BMS-694153): a potent antagonist of the human calcitonin gene-related peptide receptor for migraine with rapid and efficient intranasal exposure. J Med Chem. 2008 Aug 28;51(16):4858-61. doi: 10.1021/jm800546t. Epub 2008 Jul 30. PubMed PMID: 18665579.

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