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MedKoo Cat#: 341404 | Name: Xemilofiban hydrochloride

Description:

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

Xemilofiban hydrochloride is a biochemical.

Chemical Structure

Xemilofiban hydrochloride
Xemilofiban hydrochloride
CAS#156586-91-3

Theoretical Analysis

MedKoo Cat#: 341404

Name: Xemilofiban hydrochloride

CAS#: 156586-91-3

Chemical Formula: C18H23ClN4O4

Exact Mass: 394.1408

Molecular Weight: 394.86

Elemental Analysis: C, 54.75; H, 5.87; Cl, 8.98; N, 14.19; O, 16.21

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
Xemilofiban hydrochloride; SC-54684A; SC 54684A; SC54684A.
IUPAC/Chemical Name
Pentynoic acid, 3-((4-((4-(aminoiminomethyl)phenyl)amino)-1,4-dioxobutyl)amino)-, ethyl ester, monohydrochloride, (S)-
InChi Key
JTZJXWLQRZUDFJ-BTQNPOSSSA-N
InChi Code
InChI=1S/C18H22N4O4.ClH/c1-3-13(11-17(25)26-4-2)21-15(23)9-10-16(24)22-14-7-5-12(6-8-14)18(19)20;/h1,5-8,13H,4,9-11H2,2H3,(H3,19,20)(H,21,23)(H,22,24);1H/t13-;/m1./s1
SMILES Code
C#C[C@@H](NC(CCC(NC1=CC=C(C(N)=N)C=C1)=O)=O)CC(OCC)=O.[H]Cl
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
>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

Preparing Stock Solutions

The following data is based on the product molecular weight 394.86 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: Bhatt DL, Topol EJ. Current role of platelet glycoprotein IIb/IIIa inhibitors in acute coronary syndromes. JAMA. 2000 Sep 27;284(12):1549-58. Review. PubMed PMID: 11000650. 2: Topgi RS, Ng JS, Landis B, Wang P, Behling JR. Use of enzyme penicillin acylase in selective amidation/amide hydrolysis to resolve ethyl 3-amino-4-pentynoate isomers. Bioorg Med Chem. 1999 Oct;7(10):2221-9. PubMed PMID: 10579530.