WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H562534
CAS#: 1260629-43-3 (free base)
Description: B07 hydrochloride is a CCR5 antagonist-based HIV-1 entry inhibitor.
Hodoodo Cat#: H562534
Name: B07 hydrochloride
CAS#: 1260629-43-3 (free base)
Chemical Formula: C29H40Cl3FN4O2
Exact Mass: 600.22
Molecular Weight: 602.010
Elemental Analysis: C, 57.86; H, 6.70; Cl, 17.67; F, 3.16; N, 9.31; O, 5.32
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Synonym: B07 hydrochloride; B-07 hydrochloride; B 07 hydrochloride; B07 HCl; B-07 HCl; B 07 HCl;
IUPAC/Chemical Name: 1-Acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-[(4-fluorophenyl)methyl]-1-piperazinyl]propyl]-4-piperidinecarboxamide Dihydrochloride
InChi Key: DPGDWQZODLFWID-UHFFFAOYSA-N
InChi Code: InChI=1S/C29H38ClFN4O2.2ClH/c1-22-4-9-27(20-28(22)30)35(29(37)25-10-14-34(15-11-25)23(2)36)13-3-12-32-16-18-33(19-17-32)21-24-5-7-26(31)8-6-24;;/h4-9,20,25H,3,10-19,21H2,1-2H3;2*1H
SMILES Code: O=C(C1CCN(C(C)=O)CC1)N(C2=CC=C(C)C(Cl)=C2)CCCN3CCN(CC4=CC=C(F)C=C4)CC3.[H]Cl.[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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 602.01 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: Dong MX, Lu L, Li H, Wang X, Lu H, Jiang S, Dai QY. Design, synthesis, and biological activity of novel 1,4-disubstituted piperidine/piperazine derivatives as CCR5 antagonist-based HIV-1 entry inhibitors. Bioorg Med Chem Lett. 2012 May 1;22(9):3284-6. doi: 10.1016/j.bmcl.2012.03.019. Epub 2012 Mar 11. PubMed PMID: 22464131.