Cosalane

CAT: 0931-T23910-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T23910-02Size:5 mg

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

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CAS Number

154212-56-3

Target

CXCR, CCR, HIV Protease, HSV

Related Pathways

Microbiology/Virology, Autophagy, Immunology/Inflammation, Proteases/Proteasome, GPCR/G Protein

Purity

>99.99%

Bioactivity

Cosalane (NSC 658586) is an HIV replication inhibitor, an inhibitor of chemokine receptor 7 (CCR7) signalling in humans and mice, with antiviral activity that blocks the binding of CCR7 to its natural ligands, CCL19 and CCL21.

Smiles

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCCC(C)C)C)(CC4)[H])[H])(CC[C@]1(C[C@@H](CCC=C(C5=CC(C(O)=O)=C(O)C(Cl)=C5)C6=CC(C(O)=O)=C(O)C(Cl)=C6)CC2)[H])[H])[H]

Molecular Formula

C45H60Cl2O6

Molecular Weight

767.86

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Cosalane

active against a variety of HIV-1 strains & against HIV-2; inhibits the binding of gp120 to CD4 cells & of the postbinding events that lead to fusion of the virus with the cell membrane

CAS Number	154212-56-3
PubChem CID	455040
IUPAC Name	5-[1-(3-carboxy-5-chloro-4-hydroxyphenyl)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-3-chloro-2-hydroxybenzoic acid
Molecular Formula	C45H60Cl2O6
Molecular Weight	767.9
XLogP	16.5
Topological Polar Surface Area	115
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	12
Heavy Atom Count	53
Formal Charge	0
Complexity	1280

SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)CCC=C(C5=CC(=C(C(=C5)Cl)O)C(=O)O)C6=CC(=C(C(=C6)Cl)O)C(=O)O)C)C

InChI

InChI=1S/C45H60Cl2O6/c1-25(2)8-6-9-26(3)35-14-15-36-32-13-12-30-20-27(16-18-44(30,4)37(32)17-19-45(35,36)5)10-7-11-31(28-21-33(42(50)51)40(48)38(46)23-28)29-22-34(43(52)53)41(49)39(47)24-29/h11,21-27,30,32,35-37,48-49H,6-10,12-20H2,1-5H3,(H,50,51)(H,52,53)/t26-,27+,30+,32+,35-,36+,37+,44+,45-/m1/s1

InChIKey

VOJOOGPALCATLT-ZFQBPCNVSA-N

Chemical Structure

2D Structure

CAS: 154212-56-3

CID: 455040

Formula: C45H60Cl2O6

MW: 767.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	767.9
XLogP3	16.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	12
Exact Mass	766.3766950
Monoisotopic Mass	766.3766950
Topological Polar Surface Area	115 Å²
Heavy Atom Count	53
Formal Charge	0
Complexity	1280
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-120427-01	Cosalane

Cosalane

Chemical Information

Alternative Products

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