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Nampt-IN-14

CAT: 0013-GTR19239610-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239610-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Nampt-IN-14 (example 3) is a potent and selective NAMPT inhibitor with sub-nanomolar activity (IC50 = 0.2 nM) . Its high potency makes it a suitable warhead for constructing antibody-drug conjugates (ADCs) in cancer research, applicable in both cellular and in vivo efficacy studies.
CAS Number
2369099-57-8
Field of Research
Metabolism Research
Smiles
O=C (NC=1C=CC (=CC1) C2=NN (C (=O) C (C3=CC=CC4=NC=CC=C43) C2) CCCCCCN) N5CC=6C=NC=CC6C5
Molecular Formula
C33H35N7O2
Molecular Weight
561.68
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[4-[1-(6-aminohexyl)-6-oxo-5-quinolin-5-yl-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CAS Number2369099-57-8
PubChem CID139369919
IUPAC NameN-[4-[1-(6-aminohexyl)-6-oxo-5-quinolin-5-yl-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
Molecular FormulaC33H35N7O2
Molecular Weight561.7
XLogP2.7
Topological Polar Surface Area117
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count42
Formal Charge0
Complexity951
SMILES
C1C(C(=O)N(N=C1C2=CC=C(C=C2)NC(=O)N3CC4=C(C3)C=NC=C4)CCCCCCN)C5=C6C=CC=NC6=CC=C5
InChI
InChI=1S/C33H35N7O2/c34-15-3-1-2-4-18-40-32(41)29(27-7-5-9-30-28(27)8-6-16-36-30)19-31(38-40)23-10-12-26(13-11-23)37-33(42)39-21-24-14-17-35-20-25(24)22-39/h5-14,16-17,20,29H,1-4,15,18-19,21-22,34H2,(H,37,42)
InChIKey
IDMVIWYSBSIJEQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-[1-(6-aminohexyl)-6-oxo-5-quinolin-5-yl-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CAS: 2369099-57-8
CID: 139369919
Formula: C33H35N7O2
MW: 561.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight561.7
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass561.28522338
Monoisotopic Mass561.28522338
Topological Polar Surface Area117 Ų
Heavy Atom Count42
Formal Charge0
Complexity951
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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