WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 564761
Description: ZINC64700951 is a gp120 of HIV-1 antagonist.
MedKoo Cat#: 564761
Chemical Formula: C21H22ClN5O2S
Exact Mass: 443.1183
Molecular Weight: 443.95
Elemental Analysis: C, 56.82; H, 5.00; Cl, 7.99; N, 15.78; O, 7.21; S, 7.22
This product is not in stock, which may be available by custom synthesis.
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Synonym: ZINC-64700951; ZINC 64700951; ZINC64700951
IUPAC/Chemical Name: N-(3-Chloro-2-methylphenyl)-2-(((3aR,7R)-4-oxo-2-(p-tolyl)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-d][1,2,4]triazin-7-yl)thio)acetamide
InChi Key: IZRWMCVTMHMUEI-WIYYLYMNSA-N
InChi Code: InChI=1S/C21H22ClN5O2S/c1-12-6-8-14(9-7-12)17-10-18-20(29)24-25-21(27(18)26-17)30-11-19(28)23-16-5-3-4-15(22)13(16)2/h3-10,18,21,25-26H,11H2,1-2H3,(H,23,28)(H,24,29)/t18-,21-/m1/s1
SMILES Code: O=C(NC1=CC=CC(Cl)=C1C)CS[C@@H](N2[C@]3([H])C=C(C4=CC=C(C)C=C4)N2)NNC3=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: 2934.99.9001
The following data is based on the product molecular weight 443.95 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|
1: Berinyuy E, Soliman MES. Identification of Novel Potential gp120 of HIV-1 Antagonist Using Per-Residue Energy Contribution-Based Pharmacophore modelling. Interdiscip Sci. 2017 Sep;9(3):406-418. doi: 10.1007/s12539-016-0174-7. Epub 2016 May 10. PubMed PMID: 27165479.