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CZ-415

CAT: 0013-GTR19163244-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163244-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent, highly selective, ATP-competitive and orally bioavailable mTOR inhibitor with pKd of 8.2; displays >100-fold selectivity over PI3Ks; inhibit downstream targets phosphorylation of pS6RP (S240/244) and pAkt (S473) in HEK293T cells with IC50 of 14.5 nM and 14.8 nM, inhibits IFNγ production in stimulated human whole blood with IC50 of 226 nM; shows efficacy in a semitherapeutic collagen induced arthritis (CIA) mouse model.
CAS Number
1429639-50-8
Product Name Alternative
CZ415
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 31 mg/mL
Smiles
O=C (NCC) NC1=CC=C (C2=NC (N3[C@@H] (C) COCC3) =C4C (C (C) (C) S (C4) (=O) =O) =N2) C=C1
Molecular Formula
C22H29N5O4S
Molecular Weight
459.5618
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Urea, N-[4-[5,7-dihydro-7,7-dimethyl-4-[ (3S) -3-methyl-4-morpholinyl]-6,6-dioxidothieno[3,4-d]pyrimidin-2-yl]phenyl]-N'-ethyl-

Chemical Information

(S)-1-(4-(7,7-dimethyl-4-(3-methylmorpholino)-6,6-dioxido-5,7-dihydrothieno(3,4-d)pyrimidin-2-yl)phenyl)-3-ethylurea
CAS Number1429639-50-8
PubChem CID71547699
IUPAC Name1-[4-[7,7-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6,6-dioxo-5H-thieno[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea
Molecular FormulaC22H29N5O4S
Molecular Weight459.6
XLogP1.1
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity778
SMILES
CCNC(=O)NC1=CC=C(C=C1)C2=NC3=C(CS(=O)(=O)C3(C)C)C(=N2)N4CCOC[C@@H]4C
InChI
InChI=1S/C22H29N5O4S/c1-5-23-21(28)24-16-8-6-15(7-9-16)19-25-18-17(13-32(29,30)22(18,3)4)20(26-19)27-10-11-31-12-14(27)2/h6-9,14H,5,10-13H2,1-4H3,(H2,23,24,28)/t14-/m0/s1
InChIKey
IZLPVLBNRGPOHA-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of (S)-1-(4-(7,7-dimethyl-4-(3-methylmorpholino)-6,6-dioxido-5,7-dihydrothieno(3,4-d)pyrimidin-2-yl)phenyl)-3-ethylurea
CAS: 1429639-50-8
CID: 71547699
Formula: C22H29N5O4S
MW: 459.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.6
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass459.19402560
Monoisotopic Mass459.19402560
Topological Polar Surface Area122 Ų
Heavy Atom Count32
Formal Charge0
Complexity778
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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