WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H556001
CAS#: 916734-43-5
Description: 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 Hodoodo Chemical Nomenclature (see web page: https://www.hodoodo.com/page/naming).
Hodoodo Cat#: H556001
Name: XRN34435
CAS#: 916734-43-5
Chemical Formula: C23H28N4O6S2
Exact Mass: 520.15
Molecular Weight: 520.619
Elemental Analysis: C, 53.06; H, 5.42; N, 10.76; O, 18.44; S, 12.32
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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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
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.
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: |
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.