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Gedatolisib

CAT: 0013-GTR19164337-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19164337-05Size:25 mg
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Description
A highly potent, selective, dual PI3K/mTOR inhibitor with IC50 of 0.4/6/8/6/1.6 nM for PI3Kα/β/γ/δ/mTOR, respectively; also potently inhibits PI3Kα mutant H1047R and E545K with IC50 of 0.6 and 0.6 nM; prevents the pAkt at Thr 308 with IC50 of 8 nM, and suppresses pAkt S473 with IC50 of <10 nM in cells; demonstrates antitumor efficacy in both subcutaneous and orthotopic xenograft tumor models.Blood Cancer Phase 3 Clinical.
CAS Number
1197160-78-3
Product Name Alternative
PF-05212384 | PKI-587
Purity
>98% (HPLC)
Solubility
10 mM in DMSO
Smiles
O=C (NC1=CC=C (C2=NC (N3CCOCC3) =NC (N4CCOCC4) =N2) C=C1) NC5=CC=C (C (N6CCC (N (C) C) CC6) =O) C=C5
Molecular Formula
C32H41N9O4
Molecular Weight
615.72
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
1- (4-{[4- (Dimethylamino) -1-piperidinyl]carbonyl}phenyl) -3-{4-[4,6-di (4-morpholinyl) -1,3,5-triazin-2-yl]phenyl}urea

Chemical Information

Gedatolisib

Gedatolisib has been used in trials studying the basic science and treatment of Neoplasm, Ovary Cancer, Breast Cancer, Advanced Cancer, and Endometrial Cancer, among others.

CAS Number1197160-78-3
PubChem CID44516953
IUPAC Name1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea
Molecular FormulaC32H41N9O4
Molecular Weight615.7
XLogP2.4
Topological Polar Surface Area128
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count45
Formal Charge0
Complexity913
SMILES
CN(C)C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=NC(=NC(=N4)N5CCOCC5)N6CCOCC6
InChI
InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43)
InChIKey
DWZAEMINVBZMHQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gedatolisib
CAS: 1197160-78-3
CID: 44516953
Formula: C32H41N9O4
MW: 615.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight615.7
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass615.32815082
Monoisotopic Mass615.32815082
Topological Polar Surface Area128 Ų
Heavy Atom Count45
Formal Charge0
Complexity913
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
BUP05785-01Gedatolisib
C08733-1gGedatolisib (PKI-587)
HY-10681R-01Gedatolisib (Standard)
A11079-500PKI-587 (Gedatolisib) 500mg
MBS385962-01PKI-587 (Gedatolisib )
A11079-25PKI-587 (Gedatolisib) 25mg
A11079-2PKI-587 (Gedatolisib) 2mg
A11079-1PKI-587 (Gedatolisib) 1mg
MBS577271Gedatolisib (PF-05212384, PKI-587)

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