MedKoo Cat#: 556001 | Name: XRN34435

Description:

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

XRN34435 is an inhibitor of integrin alpha2beta1 that prevent pathological thrombus formation via an allosteric mechanism (IC50 = 12 nM). XRN34435 was first reported in Proc Natl Acad Sci U S A. 2009 Jan 20;106(3):719-24 (compound 15). This product has no formal name at the moment. For the convenience of communication, a temporary code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).

Chemical Structure

XRN34435
XRN34435
CAS#916734-43-5

Theoretical Analysis

MedKoo Cat#: 556001

Name: XRN34435

CAS#: 916734-43-5

Chemical Formula: C23H28N4O6S2

Exact Mass: 520.1450

Molecular Weight: 520.62

Elemental Analysis: C, 53.06; H, 5.42; N, 10.76; O, 18.44; S, 12.32

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
TC-I 15; XRN34435; XRN-34435; XRN 34435;
IUPAC/Chemical Name
(S)-3-(3-benzylureido)-2-((R)-5,5-dimethyl-3-(phenylsulfonyl)thiazolidine-4-carboxamido)propanoic acid
InChi Key
XKLHCUGVLCGKKX-RBUKOAKNSA-N
InChi Code
InChI=1S/C23H28N4O6S2/c1-23(2)19(27(15-34-23)35(32,33)17-11-7-4-8-12-17)20(28)26-18(21(29)30)14-25-22(31)24-13-16-9-5-3-6-10-16/h3-12,18-19H,13-15H2,1-2H3,(H,26,28)(H,29,30)(H2,24,25,31)/t18-,19+/m0/s1
SMILES Code
CC1(SCN(S(=O)(C2=CC=CC=C2)=O)[C@@H]1C(N[C@H](C(O)=O)CNC(NCC3=CC=CC=C3)=O)=O)C
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 520.62 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
Miller MW, Basra S, Kulp DW, Billings PC, Choi S, Beavers MP, McCarty OJ, Zou Z, Kahn ML, Bennett JS, DeGrado WF. Small-molecule inhibitors of integrin alpha2beta1 that prevent pathological thrombus formation via an allosteric mechanism. Proc Natl Acad Sci U S A. 2009 Jan 20;106(3):719-24. doi: 10.1073/pnas.0811622106. Epub 2009 Jan 13. PMID: 19141632; PMCID: PMC2625282.