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IPI-504 , CAS No.857402-63-2, Inhibitor of heat shock protein 90 alpha family class A member 1

CAS#: 857402-63-2
Formula: C₃₁H₄₆ClN₃O₈
Molecular Weight: 624.17
PubChem CID: 11685945

Item Number

I339327

Grouped product items
SKU	Size	Availability	Price	Qty
I339327-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$325.90
I339327-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$890.90

a novel, water-soluble, potent inhibitor of heat-shock protein 90 (Hsp90)

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heat shock protein 90 alpha family class A member 1 Inhibitor

Basic Description

Synonyms	Geldanamycin, 18,21-didehydro-17-demethoxy-18,21-dideoxo-18,21-dihydroxy-17-(2-propenylamino)-, monohydrochloride \| IPI-504 HYDROCHLORIDE \| CHEBI:71956 \| IPI-504 (Retaspimycin hydrochloride) \| DTXSID60970078 \| HY-10210 \| (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-
Specifications & Purity	Moligand™
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of heat shock protein 90 alpha family class A member 1
Product Description	IPI-504 is a novel, water-soluble, potent inhibitor of heat-shock protein 90 (Hsp90).

Associated Targets(Human)

HSP90AA1 Tchem Heat shock protein HSP 90-alpha (1 Activities)

Discover Target: HSP90AA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PDGFRA Tclin Platelet-derived growth factor receptor alpha (5682 Activities)

Discover Target: PDGFRA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SK-BR-3 (5175 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SK-OV-3 (52876 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HSP90AA1 Tchem Heat shock protein HSP90 (3606 Activities)

Discover Target: HSP90AA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NCI-H3122 (436 Activities)

Discover Target:

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HSP90B1 Heat shock protein 90 beta (139 Activities)

Discover Target: HSP90B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Names and Identifiers

IUPAC Name	[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13,20,22-trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-9-yl] carbamate;hydrochloride
INCHI	InChI=1S/C31H45N3O8.ClH/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;/h8-11,15-17,19,24-25,27,29,33,35-37H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38);1H/b11-9-,18-10+,20-15+;/t17-,19+,24+,25+,27-,29+;/m1./s1
InChi Key	OIRUWDYJGMHDHJ-AFXVCOSJSA-N
Canonical SMILES	CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=C(C(=C2O)C1)NCC=C)O)C)OC)OC(=O)N)C)C)O)OC.Cl
Isomeric 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(=C(C(=C2O)C1)NCC=C)O)/C)OC)OC(=O)N)\C)C)O)OC.Cl
Alternate CAS	857402-63-2
PubChem CID	11685945
MeSH Entry Terms	17-(allylamino)-17-demethoxy-geldanamycin;17-(allylamino)-17-demethoxygeldanamycin;17-AAG;17-allyl-aminogeldanamycin;17-allylamino-17-demethoxygeldanamycin;17-allylamino-17-demethoxygeldanamycin hydroquinone;17-allylamino-17-demethoxygeldanamycin hydroqui
Molecular Weight	624.17

References

1. Ge J, Normant E, Porter JR, Ali JA, Dembski MS, Gao Y, Georges AT, Grenier L, Pak RH, Patterson J et al.. (2006) Design, synthesis, and biological evaluation of hydroquinone derivatives of 17-amino-17-demethoxygeldanamycin as potent, water-soluble inhibitors of Hsp90.. J Med Chem, 49 (15): (4606-15). [PMID:16854066]
2. Wagner AJ, Chugh R, Rosen LS, Morgan JA, George S, Gordon M, Dunbar J, Normant E, Grayzel D, Demetri GD. (2013) A phase I study of the HSP90 inhibitor retaspimycin hydrochloride (IPI-504) in patients with gastrointestinal stromal tumors or soft-tissue sarcomas.. Clin Cancer Res, 19 (21): (6020-9). [PMID:24045182]

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IPI-504 , CAS No.857402-63-2, Inhibitor of heat shock protein 90 alpha family class A member 1

Basic Description

Associated Targets(Human)

Associated Targets(non-human)

Names and Identifiers

Certificates

Certificate of Analysis(COA)

Chemical and Physical Properties

Related Documents

References

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