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P7170

CAT: 0931-T70176-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T70176-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1799702-72-9
Target
Others
Related Pathways
Others
Bioactivity
P7170 is an anti-cancer agent active as an mTORC1/C2 and activin receptor-like kinase 1 (ALK1) inhibitor.
Molecular Formula
C21H16F3N9
Molecular Weight
451.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

8-Amino-1-[6-(cyano-dimethyl-methyl)-pyridin-3-yl]-3-methyl-7-trifluoromethyl-1,3-dihydro-1,3,5,9-tetraaza-cyclopenta[a]naphthalen-2-ylidene-cyanamide
CAS Number1799702-72-9
PubChem CID154731072
IUPAC Name[8-amino-1-[6-(2-cyanopropan-2-yl)-3-pyridinyl]-3-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,5]naphthyridin-2-ylidene]cyanamide
Molecular FormulaC21H16F3N9
Molecular Weight451.4
XLogP2.2
Topological Polar Surface Area131
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Heavy Atom Count33
Formal Charge0
Complexity884
SMILES
CC(C)(C#N)C1=NC=C(C=C1)N2C3=C4C(=NC=C3N(C2=NC#N)C)C=C(C(=N4)N)C(F)(F)F
InChI
InChI=1S/C21H16F3N9/c1-20(2,9-25)15-5-4-11(7-29-15)33-17-14(32(3)19(33)30-10-26)8-28-13-6-12(21(22,23)24)18(27)31-16(13)17/h4-8H,1-3H3,(H2,27,31)
InChIKey
VGAYQXQQPMBRDX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Amino-1-[6-(cyano-dimethyl-methyl)-pyridin-3-yl]-3-methyl-7-trifluoromethyl-1,3-dihydro-1,3,5,9-tetraaza-cyclopenta[a]naphthalen-2-ylidene-cyanamide
CAS: 1799702-72-9
CID: 154731072
Formula: C21H16F3N9
MW: 451.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.4
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Exact Mass451.14807603
Monoisotopic Mass451.14807603
Topological Polar Surface Area131 Ų
Heavy Atom Count33
Formal Charge0
Complexity884
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
GTR19209815-01P7170
MBS3840331Panulisib (P7170, AK151761)

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