17-AAG

CAT: 0498-bs-75710C-03Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0498-bs-75710C-03Size:5 mg

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

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CAS Number

75747-14-7

Conjugation

Unconjugated

Purity

>98% (HPLC)

Buffer

Powder

Solubility

Soluble in DMSO (10 mg/ml) or methanol (10 mg/ml) .

Smiles

[H]/C1=C([H])/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H](O)[C@H](C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\1)C2=O)OC

Molecular Formula

C31H43N3O8

Molecular Weight

585.7

Storage Conditions

Stable for 1 year after receipt when stored at -20°C. After reconstitution protect from light at -20°C.

Appearance

Red to dark red powder.

Chemical Information

Tanespimycin

Tanespimycin is a 19-membered macrocyle that is geldanamycin in which the methoxy substituent attached to the benzoquinone moiety has been replaced by an allylamino group. It is a potent inhibitor of heat shock protein 90 (Hsp90). A less toxic analogue than geldanamycin, it induces apoptosis and displays antitumour effects. It has a role as an antineoplastic agent, a Hsp90 inhibitor and an apoptosis inducer. It is a member of 1,4-benzoquinones, an ansamycin, a carbamate ester, an organic heterobicyclic compound and a secondary amino compound. It is functionally related to a geldanamycin.

CAS Number	75747-14-7
PubChem CID	6505803
IUPAC Name	[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate
Molecular Formula	C31H43N3O8
Molecular Weight	585.7
XLogP	2.6
Topological Polar Surface Area	166
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Heavy Atom Count	42
Formal Charge	0
Complexity	1210

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)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC

InChI

InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1

InChIKey

AYUNIORJHRXIBJ-TXHRRWQRSA-N

Chemical Structure

2D Structure

CAS: 75747-14-7

CID: 6505803

Formula: C31H43N3O8

MW: 585.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	585.7
XLogP3	2.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	585.30501534
Monoisotopic Mass	585.30501534
Topological Polar Surface Area	166 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	1210
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

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Alternative Products

Catalog	Name
207010-01	17-AAG
BC001-050	17-AAG, >98%
MBS5750131	17-AAG (Tanespimycin)
MBS3606537	17-AAG hydrochloride

17-AAG

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