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PIK-75

CAT: 0607-A2080-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A2080-50Size:50 mg
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Description
Inhibitor of PI3K isoform p110α
CAS Number
372196-77-5
Product Name Alternative
N-[(E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide;hydrochloride
Field of Research
PI3K Akt mTOR Signaling PI3K
Purity
0.994
Form
A solid
Solubility
insoluble in H2O; insoluble in EtOH; ≥8.15 mg/mL in DMSO with gentle warming
Smiles
CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(C)N=CC2=CN=C3N2C=C(C=C3)Br.Cl
Molecular Formula
C16H14BrN5O4S·HCl
Molecular Weight
488.74
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

(E)-N'-((6-bromoimidazo[1,2-a]pyridin-3-yl)methylene)-N,2-dimethyl-5-nitrobenzenesulfonohydrazide hydrochloride
CAS Number372196-77-5
PubChem CID45265864
IUPAC NameN-[(E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide;hydrochloride
Molecular FormulaC16H15BrClN5O4S
Molecular Weight488.7
Topological Polar Surface Area121
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity679
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(C)/N=C/C2=CN=C3N2C=C(C=C3)Br.Cl
InChI
InChI=1S/C16H14BrN5O4S.ClH/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16;/h3-10H,1-2H3;1H/b19-9+;
InChIKey
VOUDEIAYNKZQKM-MYHMWQFYSA-N
Chemical Structure
2D Structure
2D structure of (E)-N'-((6-bromoimidazo[1,2-a]pyridin-3-yl)methylene)-N,2-dimethyl-5-nitrobenzenesulfonohydrazide hydrochloride
CAS: 372196-77-5
CID: 45265864
Formula: C16H15BrClN5O4S
MW: 488.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass486.97167
Monoisotopic Mass486.97167
Topological Polar Surface Area121 Ų
Heavy Atom Count28
Formal Charge0
Complexity679
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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