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TGR-1202 hydrochloride

CAT: 1410-M12156-01Size: 1 EachDry Ice: NoHazardous: No
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Description
TGR-1202 (RP5264, TGR1202, Umbralisib) is a potent, selective, orally available PI3Kδ inhibitor with IC50 of 22 nM.
CAS Number
1532533-78-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
608.0101
Molecular Formula
C31H25ClF3N5O3
Notes
Research use only, not for human use.
Receptor
PI3K

Chemical Information

TGR-1202 hydrochloride
CAS Number1532533-78-0
PubChem CID90030289
IUPAC Name2-[(1S)-1-[4-amino-3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-fluoro-3-(3-fluorophenyl)chromen-4-one;hydrochloride
Molecular FormulaC31H25ClF3N5O3
Molecular Weight608.0
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count43
Formal Charge0
Complexity1020
SMILES
C[C@@H](C1=C(C(=O)C2=C(O1)C=CC(=C2)F)C3=CC(=CC=C3)F)N4C5=NC=NC(=C5C(=N4)C6=CC(=C(C=C6)OC(C)C)F)N.Cl
InChI
InChI=1S/C31H24F3N5O3.ClH/c1-15(2)41-24-9-7-18(12-22(24)34)27-26-30(35)36-14-37-31(26)39(38-27)16(3)29-25(17-5-4-6-19(32)11-17)28(40)21-13-20(33)8-10-23(21)42-29;/h4-16H,1-3H3,(H2,35,36,37);1H/t16-;/m0./s1
InChIKey
QGVUVMVWYWMZIR-NTISSMGPSA-N
Chemical Structure
2D Structure
2D structure of TGR-1202 hydrochloride
CAS: 1532533-78-0
CID: 90030289
Formula: C31H25ClF3N5O3
MW: 608.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight608.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass607.1598019
Monoisotopic Mass607.1598019
Topological Polar Surface Area105 Ų
Heavy Atom Count43
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3602156-01TGR-1202 hydrochloride
A16278-50TGR-1202 hydrochloride 50mg
A16278-10TGR-1202 hydrochloride 10mg
A16278-5TGR-1202 hydrochloride 5mg
MBS3841542-01TGR-1202 hydrochloride (Umbralisib HCl)
A16278-25TGR-1202 hydrochloride (Umbralisib HCl) 25mg
A16278-100TGR-1202 hydrochloride (Umbralisib HCl) 100mg
A16278-2TGR-1202 hydrochloride (Umbralisib HCl) 2mg
B1284-5TGR-1202
FT171036-01TGR 1202

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