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GANT61 2mg

CAT: 0628-A13252-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0628-A13252-2Size:2 mg
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CAS Number
500579-04-4

Chemical Information

2,2'-((Dihydro-2-(4-pyridinyl)-1,3(2H,4H)-pyrimidinediyl)bis(methylene))bis(N,N-dimethylbenzenamine)

GANT61 is an aminal that is hexahydropyrimidine which is substituted on each nitrogen by a 2-(dimethylamino)benzyl group, and at the aminal carbon by a pyridin-4-yl group. A Hedgehog signaling pathway and Gli protein inhibitor. It has a role as a Hedgehog signaling pathway inhibitor, a glioma-associated oncogene inhibitor, an antineoplastic agent and an apoptosis inducer. It is a member of pyridines, an aminal, a substituted aniline and a tertiary amino compound.

CAS Number500579-04-4
PubChem CID421610
IUPAC Name2-[[3-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-4-yl-1,3-diazinan-1-yl]methyl]-N,N-dimethylaniline
Molecular FormulaC27H35N5
Molecular Weight429.6
XLogP4.2
Topological Polar Surface Area25.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity508
SMILES
CN(C)C1=CC=CC=C1CN2CCCN(C2C3=CC=NC=C3)CC4=CC=CC=C4N(C)C
InChI
InChI=1S/C27H35N5/c1-29(2)25-12-7-5-10-23(25)20-31-18-9-19-32(27(31)22-14-16-28-17-15-22)21-24-11-6-8-13-26(24)30(3)4/h5-8,10-17,27H,9,18-21H2,1-4H3
InChIKey
KVQOGDQTWWCZFX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2'-((Dihydro-2-(4-pyridinyl)-1,3(2H,4H)-pyrimidinediyl)bis(methylene))bis(N,N-dimethylbenzenamine)
CAS: 500579-04-4
CID: 421610
Formula: C27H35N5
MW: 429.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.6
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass429.28924614
Monoisotopic Mass429.28924614
Topological Polar Surface Area25.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity508
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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A1615-5.1GANT61
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