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AZD3147

CAT: 0804-HY-12652-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-12652-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AZD3147 is a potent, orally active, selective dual inhibitor of mTORC1 and mTORC2 with an IC50 value of 1.5 nM. AZD3147 also has a selective effect on PI3K[1].
CAS Number
1101810-02-9
UNSPSC
12352005
Target
MTOR
Type
Reference compound
Related Pathways
PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/azd3147.html
Purity
99.93
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=S(C1(C2=NC(C3=CC=C(C=C3)NC(NCCO)=S)=NC(N4[C@H](COCC4)C)=C2)CC1)(C5CC5)=O
Molecular Formula
C24H31N5O4S2
Molecular Weight
517.66
References & Citations
[1]Kurt G Pike, et al. Discovery of AZD3147: a potent, selective dual inhibitor of mTORC1 and mTORC2. J Med Chem. 2015 Mar 12;58 (5) :2326-49.|[2]Michaela Kunova Bosakova, et al. Regulation of ciliary function by fibroblast growth factor signaling identifies FGFR3-related disorders achondroplasia and thanatophoric dysplasia as ciliopathies. Hum Mol Genet. 2018 Mar 15;27 (6) :1093-1105.|[3]Rebecca Waetzig, et al. Comparing mTOR inhibitor Rapamycin with Torin-2 within the RIST molecular-targeted regimen in neuroblastoma cells. Int J Med Sci. 2021 Jan 1;18 (1) :137-149.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
MTORC1; mTORC2

Chemical Information

1-[4-[4-(1-cyclopropylsulfonylcyclopropyl)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]-3-(2-hydroxyethyl)thiourea
CAS Number1101810-02-9
PubChem CID25168990
IUPAC Name1-[4-[4-(1-cyclopropylsulfonylcyclopropyl)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]-3-(2-hydroxyethyl)thiourea
Molecular FormulaC24H31N5O4S2
Molecular Weight517.7
XLogP1.4
Topological Polar Surface Area157
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity852
SMILES
C[C@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C4CC4)C5=CC=C(C=C5)NC(=S)NCCO
InChI
InChI=1S/C24H31N5O4S2/c1-16-15-33-13-11-29(16)21-14-20(24(8-9-24)35(31,32)19-6-7-19)27-22(28-21)17-2-4-18(5-3-17)26-23(34)25-10-12-30/h2-5,14,16,19,30H,6-13,15H2,1H3,(H2,25,26,34)/t16-/m0/s1
InChIKey
JWGVUDPAMQEIJU-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of 1-[4-[4-(1-cyclopropylsulfonylcyclopropyl)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]-3-(2-hydroxyethyl)thiourea
CAS: 1101810-02-9
CID: 25168990
Formula: C24H31N5O4S2
MW: 517.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight517.7
XLogP31.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass517.18174683
Monoisotopic Mass517.18174683
Topological Polar Surface Area157 Ų
Heavy Atom Count35
Formal Charge0
Complexity852
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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