Aminohexylgeldanamycin

CAT: 0931-T37377-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T37377-01Size:25 mg

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CAS Number

485395-71-9

Target

ADC Cytotoxin, HSP

Related Pathways

Metabolism, Antibody-drug Conjugate/ADC Related, Cytoskeletal Signaling

Bioactivity

Aminohexylgeldanamycin (AHGDM), a derivative of Geldanamycin, is a highly effective inhibitor of HSP90. It exhibits considerable antiangiogenic and antitumor properties[1].

Smiles

CO[C@H]1C[C@H](C)CC2=C(NCCCCCCN)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O

Molecular Formula

C34H52N4O8

Molecular Weight

644.8

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Aminohexylgeldanamycin

CAS Number	485395-71-9
PubChem CID	102441955
IUPAC Name	[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-(6-aminohexylamino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate
Molecular Formula	C34H52N4O8
Molecular Weight	644.8
XLogP	2.5
Topological Polar Surface Area	192
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	11
Heavy Atom Count	46
Formal Charge	0
Complexity	1250

SMILES

C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCCCCCN)/C)OC)OC(=O)N)\C)C)O)OC

InChI

InChI=1S/C34H52N4O8/c1-20-16-24-29(37-15-10-8-7-9-14-35)26(39)19-25(31(24)41)38-33(42)21(2)12-11-13-27(44-5)32(46-34(36)43)23(4)18-22(3)30(40)28(17-20)45-6/h11-13,18-20,22,27-28,30,32,37,40H,7-10,14-17,35H2,1-6H3,(H2,36,43)(H,38,42)/b13-11-,21-12+,23-18+/t20-,22+,27+,28+,30-,32+/m1/s1

InChIKey

FEKZHEHNADINKB-OLLHKAICSA-N

Chemical Structure

2D Structure

CAS: 485395-71-9

CID: 102441955

Formula: C34H52N4O8

MW: 644.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	644.8
XLogP3	2.5
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	11
Exact Mass	644.37851463
Monoisotopic Mass	644.37851463
Topological Polar Surface Area	192 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	1250
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
KUA39571-01	Aminohexylgeldanamycin
MBS5799155	Aminohexylgeldanamycin hydrochloride
HY-133571A	Aminohexylgeldanamycin (hydrochloride)

Aminohexylgeldanamycin

Chemical Information

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