Basic information
- Standard SMILES
O=C1c2ccccc2-c2nc3nnnn3nc21- InChIKey
SSNMLKNJEUSPDY-UHFFFAOYSA-N- Molecular formula
- C10H4N6O
- Average molar mass
- 224.18 g/mol
Names & identifiers
- Preferred name
- PDK1/Akt/Flt Dual Pathway Inhibitor
- IUPAC
- 10,11,12,13,14,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,12,14-heptaen-8-one
- English name
- PDK1/Akt/Flt Dual Pathway Inhibitor
- Molecular formula
- C10H4N6O
- Molecular weight
- 224.18
Names & synonyms
PDK1/Akt/Flt Dual Pathway Inhibitor331253-86-2GNF-Pf-3800PDK1/Akt/FltDualPathwayInhibitorAG-L-66494KP372-1(PDK1/Akt/Flt Dual Inhibitor)CHEMBL59989410,11,12,13,14,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,12,14-heptaen-8-one6H-Indeno[1,2-e]tetrazolo[1,5-b][1,2,4]triazin-6-oneST097539EX79DPF89PSCHEMBL570829
Show more names
KP-23172KP 23172,KP23172PDK1/Akt inhibitorDPANHMGWPXVBQI-UHFFFAOYSA-N
GTPL6022orb1708910SCHEMBL30338619HMS3229A15BDBM50598131AKOS003195696CCG-206775SDCCGSBI-0086695.P003
Database identifiers
- CAS
331253-86-2- PubChem CID
- 5113385
- ChEMBL
CHEMBL599894- UNII
- EX79DPF89P
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Density
- 2.01 · 2.01±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 10 mg/mL · DMSO: 10mg/mL
- pka
- -3.05 · -3.05±0.20(Predicted)
- form
- solid
- color
- yellow
- InChI
- 1S/C10H4N6O/c17-9-6-4-2-1-3-5(6)7-8(9)11-10-12-14-15-16(10)13-7/h1-4H
- InChIKey
- SSNMLKNJEUSPDY-UHFFFAOYSA-N
- SMILES
- [n]21nnnc2nc3c(n1)c4c(cccc4)C3=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 32 · NA.32
- Storage Class
- 10 · 10-13 - German Storage Class 10 to 13
Safety & regulation
Safety data
- Storage Class
- 10-13 - German Storage Class 10 to 13
Chemistry & industry
Applications
UsesPDK1/Akt/Flt Dual Pathway Inhibitor is a cell-permeable compound that selectively induces apoptosis.
Suppliers10 total
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
ChemeGen 中国18818260767 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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