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DP-1

CAT: 0013-GTR19277410-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277410-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DP-1, a Ganetespib degradation product, represents a fragment derived from SDC-TRAP-0063. Ganetespib itself functions as an inhibitor of heat shock protein 90 (HSP90), exhibiting notable anti-tumor properties.
CAS Number
1472616-61-7
Smiles
CC (C) c1cc (-c2n[nH]c (=O) n2-c2ccc3n (CCC4CCNCC4) ccc3c2) c (O) cc1O
Molecular Formula
C26H31N5O3
Molecular Weight
461.566
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DP-1
CAS Number1472616-61-7
PubChem CID136377208
IUPAC Name3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[1-(2-piperidin-4-ylethyl)indol-5-yl]-1H-1,2,4-triazol-5-one
Molecular FormulaC26H31N5O3
Molecular Weight461.6
XLogP3.7
Topological Polar Surface Area102
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity755
SMILES
CC(C)C1=C(C=C(C(=C1)C2=NNC(=O)N2C3=CC4=C(C=C3)N(C=C4)CCC5CCNCC5)O)O
InChI
InChI=1S/C26H31N5O3/c1-16(2)20-14-21(24(33)15-23(20)32)25-28-29-26(34)31(25)19-3-4-22-18(13-19)8-12-30(22)11-7-17-5-9-27-10-6-17/h3-4,8,12-17,27,32-33H,5-7,9-11H2,1-2H3,(H,29,34)
InChIKey
CPMBELNSUCVCNT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DP-1
CAS: 1472616-61-7
CID: 136377208
Formula: C26H31N5O3
MW: 461.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.6
XLogP33.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass461.24268987
Monoisotopic Mass461.24268987
Topological Polar Surface Area102 Ų
Heavy Atom Count34
Formal Charge0
Complexity755
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

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