LY355703

CAT: 0931-T202808-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T202808-02Size:50 mg

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CAS Number

186256-67-7

Bioactivity

Cryptophycin 52 is part of the antitumor compound family known as Cryptophycins. Its mechanism involves binding to tubulin, which leads to the inhibition of solid tumor growth and induces apoptosis. (NCI)

Smiles

[C@@H](C)([C@@]1([C@H](O1)C2=CC=CC=C2)[H])[C@]3(OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC(=O)[C@@H](CC4=CC(Cl)=C(OC)C=C4)NC(=O)\C=C\C3)[H]

Molecular Formula

C36H45ClN2O8

Molecular Weight

669.2

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Cryptophycin 52

Cryptophycin 52 is a member of the cryptophycin family of antitumor agents that binds to microtubules, inducing growth arrest and apoptosis in solid tumors. (NCI)

CAS Number	186256-67-7
PubChem CID	9939639
IUPAC Name	(3S,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
Molecular Formula	C36H45ClN2O8
Molecular Weight	669.2
XLogP	6.5
Topological Polar Surface Area	133
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	47
Formal Charge	0
Complexity	1120

SMILES

C[C@@H]([C@@H]1C/C=C/C(=O)N[C@@H](C(=O)NCC(C(=O)O[C@H](C(=O)O1)CC(C)C)(C)C)CC2=CC(=C(C=C2)OC)Cl)[C@@H]3[C@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C36H45ClN2O8/c1-21(2)17-29-34(42)45-27(22(3)31-32(47-31)24-11-8-7-9-12-24)13-10-14-30(40)39-26(19-23-15-16-28(44-6)25(37)18-23)33(41)38-20-36(4,5)35(43)46-29/h7-12,14-16,18,21-22,26-27,29,31-32H,13,17,19-20H2,1-6H3,(H,38,41)(H,39,40)/b14-10+/t22-,26+,27-,29-,31+,32+/m0/s1

InChIKey

LSXOBYNBRKOTIQ-RQUBOUMQSA-N

Chemical Structure

2D Structure

CAS: 186256-67-7

CID: 9939639

Formula: C36H45ClN2O8

MW: 669.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	669.2
XLogP3	6.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	668.2864441
Monoisotopic Mass	668.2864441
Topological Polar Surface Area	133 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	1120
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
GTR19241725-01	LY355703

LY355703

Chemical Information

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