CB-0821

CAT: 0013-GTR19262647-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19262647-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

CB-0821 is a high-affinity CCR5 inhibitor with a Ki of 0.04 nM. It effectively binds to the hydrophobic pocket of the CCR5 protein, hindering the interaction between viral proteins and CCR5, thereby blocking virus entry. CB-0821 holds potential for anti-HIV research.

CAS Number

81430-62-8

Field of Research

Immunology & Inflammation, Infectious Disease & Virology, Pharmacology & Drug Discovery, Protein Biochemistry

Smiles

N1=C2N=C (C=C (C=3C=CC=CC3) N2N=C1CC=4N=C5N=C (C=C (C=6C=CC=CC6) N5N4) C=7C=CC=CC7) C=8C=CC=CC8

Molecular Formula

C35H24N8

Molecular Weight

556.62

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

2,2'-Methylenebis(5,7-diphenyl[1,2,4]triazolo[1,5-a]pyrimidine)

CAS Number	81430-62-8
PubChem CID	2829709
IUPAC Name	2-[(5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine
Molecular Formula	C35H24N8
Molecular Weight	556.6
XLogP	6.9
Topological Polar Surface Area	86.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	43
Formal Charge	0
Complexity	809

SMILES

C1=CC=C(C=C1)C2=CC(=NC3=NC(=NN23)CC4=NN5C(=CC(=NC5=N4)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C35H24N8/c1-5-13-24(14-6-1)28-21-30(26-17-9-3-10-18-26)42-34(36-28)38-32(40-42)23-33-39-35-37-29(25-15-7-2-8-16-25)22-31(43(35)41-33)27-19-11-4-12-20-27/h1-22H,23H2

InChIKey

QFTLBEGGYAFYLK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 81430-62-8

CID: 2829709

Formula: C35H24N8

MW: 556.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	556.6
XLogP3	6.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	556.21239280
Monoisotopic Mass	556.21239280
Topological Polar Surface Area	86.2 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	809
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Chemical Information

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