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AT13387

CAT: 0013-GTR19160812-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160812-02Size:2 mg
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Description
AT13387 is a selective potent Hsp90 inhibitor with IC50 of 18 nM in A375 cells, displays a long duration of anti-tumor activity. (In Vitro) :Onalespib (Compound 35) is a potent inhibitor of Hsp90, with Kd of 0.71 nM. Onalespib shows potent antiproliferative activity in HCT116 cells, with an IC50 of 31 nM. Onalespib also strongly inhibits the proliferation of a panel of human tumor cell lines, showing IC50 of < 100 nM. Onalespib exhibits cytotoxic activity against many of the PPTP cell lines, with median IC50 of 41 nM. (In Vivo) :Onalespib (60 mg/kg, ip 3 days on and 3 days off for four cycles) shows antitumor activity in nude BALB/c mice bearing early stage HCT116 human colon carcinoma xenografts. Onalespib (40 or 60 mg/kg, i.p.) induces significant differences in EFS distribution compared to controls in 17% evaluable solid tumor xenografts, but in none of the ALL xenografts.
CAS Number
912999-49-6
Product Name Alternative
AT-13387
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 33 mg/mL
Smiles
CC (C) C1=C (C=C (C (=C1) C (=O) N2CC3=C (C2) C=C (C=C3) CN4CCN (CC4) C) O) O
Molecular Formula
C24H31N3O3
Molecular Weight
409.53
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Onalespib

Onalespib is a member of the class of isoindoles that is isoindole in which the amino group has been acylated by a 2,4-dihydroxy-5-isopropylbenzoyl group and in which position 5 of the isoidole moiety has been substituted by a (4-methylpiperazin-1-yl)methyl group. A second-generation Hsp90 inhibitor. It has a role as an antineoplastic agent and a Hsp90 inhibitor. It is a tertiary carboxamide, a member of benzamides, a member of isoindoles, a member of resorcinols and a N-alkylpiperazine.

CAS Number912999-49-6
PubChem CID11955716
IUPAC Name(2,4-dihydroxy-5-propan-2-ylphenyl)-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydroisoindol-2-yl]methanone
Molecular FormulaC24H31N3O3
Molecular Weight409.5
XLogP3.1
Topological Polar Surface Area67.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity592
SMILES
CC(C)C1=CC(=C(C=C1O)O)C(=O)N2CC3=C(C2)C=C(C=C3)CN4CCN(CC4)C
InChI
InChI=1S/C24H31N3O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3
InChIKey
IFRGXKKQHBVPCQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Onalespib
CAS: 912999-49-6
CID: 11955716
Formula: C24H31N3O3
MW: 409.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.5
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass409.23654186
Monoisotopic Mass409.23654186
Topological Polar Surface Area67.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity592
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
sc-364415AT13387
A11062-5AT13387 5mg
C07573-01Onalespib (AT13387)
A11062-100AT13387 100mg
A11062-10AT13387 10mg
A11062-50AT13387 50mg

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