WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H561738
CAS#: 957889-73-5
Description: BI-1001 is an allosteric HIV-1 integrase (IN) inhibitor (ALLINI).
Hodoodo Cat#: H561738
Name: BI-1001
CAS#: 957889-73-5
Chemical Formula: C19H15BrClNO3
Exact Mass: 418.99
Molecular Weight: 420.680
Elemental Analysis: C, 54.25; H, 3.59; Br, 18.99; Cl, 8.43; N, 3.33; O, 11.41
This product is not in stock, which may be available by custom synthesis.
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Synonym: BI-1001; BI 1001; BI1001;
IUPAC/Chemical Name: (S)-2-(6-Bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl)-2-methoxyacetic acid
InChi Key: BNDPDYQQAJUJPY-SFHVURJKSA-N
InChi Code: InChI=1S/C19H15BrClNO3/c1-10-16(18(25-2)19(23)24)17(11-3-6-13(21)7-4-11)14-9-12(20)5-8-15(14)22-10/h3-9,18H,1-2H3,(H,23,24)/t18-/m0/s1
SMILES Code: O=C(O)[C@H](C1=C(C2=CC=C(Cl)C=C2)C3=CC(Br)=CC=C3N=C1C)OC
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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 420.68 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: |
1: Xue W, Liu H, Yao X. Molecular modeling study on the allosteric inhibition mechanism of HIV-1 integrase by LEDGF/p75 binding site inhibitors. PLoS One. 2014 Mar 5;9(3):e90799. doi: 10.1371/journal.pone.0090799. eCollection 2014. PubMed PMID: 24599328; PubMed Central PMCID: PMC3944435.