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MedKoo Cat#: 597295 | Name: BMS 180742

Description:

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

BMS 180742 is a thrombin exosite inhibitor.

Chemical Structure

BMS 180742
BMS 180742
CAS#138828-04-3

Theoretical Analysis

MedKoo Cat#: 597295

Name: BMS 180742

CAS#: 138828-04-3

Chemical Formula: C67H93N11O22

Exact Mass: 1403.6497

Molecular Weight: 1404.53

Elemental Analysis: C, 57.30; H, 6.67; N, 10.97; O, 25.06

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
BMS 180742; Succinyl-phe-glu-pro-ile-pro-glu-glu-tyr-cyclohexylalanine-gln; BMS-180742; BMS180742;
IUPAC/Chemical Name
L-Glutamine, N2-(N-(N-(N-(N-(1-(N-(1-(N-(N-(3-carboxy-1-oxopropyl)-L-phenylalanyl)-L-alpha-glutamyl)-L-prolyl)-L-isoleucyl)-L-prolyl)-L-alpha-glutamyl)-L-alpha-glutamyl)-L-tyrosyl)-3-cyclohexyl-L-alanyl)-
InChi Key
FQJMDZBACZEDKY-VMIARKKQSA-N
InChi Code
InChI=1S/C67H93N11O22/c1-3-37(2)57(76-64(96)50-17-10-32-77(50)65(97)44(25-30-55(86)87)72-60(92)46(34-38-12-6-4-7-13-38)69-52(81)27-31-56(88)89)66(98)78-33-11-16-49(78)63(95)71-43(24-29-54(84)85)58(90)70-42(23-28-53(82)83)59(91)74-48(36-40-18-20-41(79)21-19-40)62(94)75-47(35-39-14-8-5-9-15-39)61(93)73-45(67(99)100)22-26-51(68)80/h4,6-7,12-13,18-21,37,39,42-50,57,79H,3,5,8-11,14-17,22-36H2,1-2H3,(H2,68,80)(H,69,81)(H,70,90)(H,71,95)(H,72,92)(H,73,93)(H,74,91)(H,75,94)(H,76,96)(H,82,83)(H,84,85)(H,86,87)(H,88,89)(H,99,100)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,57-/m0/s1
SMILES Code
O=C(N)CC[C@@H](C(O)=O)NC([C@H](CC1CCCCC1)NC([C@H](CC2=CC=C(O)C=C2)NC([C@H](CCC(O)=O)NC([C@H](CCC(O)=O)NC([C@H]3N(C([C@H]([C@@H](C)CC)NC([C@H]4N(C([C@H](CCC(O)=O)NC([C@H](CC5=CC=CC=C5)NC(CCC(O)=O)=O)=O)=O)CCC4)=O)=O)CCC3)=O)=O)=O)=O)=O
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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 1,404.53 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.

Recalculate based on batch purity %
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
1: Schumacher WA, Steinbacher TE, Heran CL, Seiler SM, Michel IM, Ogletree ML. Comparison of thrombin active site and exosite inhibitors and heparin in experimental models of arterial and venous thrombosis and bleeding. J Pharmacol Exp Ther. 1993 Dec;267(3):1237-42. PubMed PMID: 8263785. 2: Tesfamariam B, Allen GT, Normandin D, Antonaccio MJ. Involvement of the "tethered ligand" receptor in thrombin-induced endothelium-mediated relaxations. Am J Physiol. 1993 Nov;265(5 Pt 2):H1744-9. PubMed PMID: 8238588. 3: Webb ML, Taylor DS, Molloy CJ. Effects of thrombin receptor activating peptide on phosphoinositide hydrolysis and protein kinase C activation in cultured rat aortic smooth muscle cells: evidence for "tethered-ligand" activation of smooth muscle cell thrombin receptors. Biochem Pharmacol. 1993 Apr 22;45(8):1577-82. PubMed PMID: 8387299. 4: Seiler SM, Michel IM, Fenton JW 2nd. Involvement of the "tethered-ligand" receptor in thrombin inhibition of platelet adenylate cyclase. Biochem Biophys Res Commun. 1992 Feb 14;182(3):1296-302. PubMed PMID: 1371679. 5: Seiler SM, Goldenberg HJ, Michel IM, Hunt JT, Zavoico GB. Multiple pathways of thrombin-induced platelet activation differentiated by desensitization and a thrombin exosite inhibitor. Biochem Biophys Res Commun. 1991 Dec 16;181(2):636-43. PubMed PMID: 1755847.