Basic information
- CAS
701976-54-7- Standard SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)C[C@H]1OC)OC- InChIKey
NRLLDDPUQZQEDV-MWJQJBPESA-N- Molecular formula
- C29H59O10P
- Average molar mass
- 598.7 g/mol
- Monoisotopic mass
- 598.38458507
Names & identifiers
- Preferred name
- Akt Inhibitor II
- IUPAC
- [(2R)-2-methoxy-3-octadecoxypropyl] [(1S,2R,3S,4R,6R)-2,3,4-trihydroxy-6-methoxycyclohexyl] hydrogen phosphate
- English name
- SH-5
- Molecular formula
- C29H59O10P
- Molecular weight
- 598.75
Names & synonyms
SH-5701976-54-7Akt Inhibitor II[(2R)-2-Methoxy-3-octadecoxypropyl] [(1S,2R,3S,4R,6R)-2,3,4-trihydroxy-6-methoxycyclohexyl] hydrogen phosphateCHEMBL452304orb1695218GLXC-03178AKOS040754022(R)-2-methoxy-3-(octadecyloxy)propyl ((1S,2R,3S,4R,6R)-2,3,4-trihydroxy-6-methoxycyclohexyl) hydrogen phosphateHY-100702CS-0020011T34632
Show more names
PIA 5SH-5, Akt inhibitorD-3-DEOXY-2-O-METHYL-MYO-INOSITOL 1-[(R)-2-METHOXY-3-(OCTADECYLOXY)PROPYL HYDROGEN PHOSPHATE]1-Deoxy-6-O-methyl-L-chiro-inositol 5-[(2R)-2-methoxy-3-(octadecyloxy)propyl hydrogen phosphate]L-chiro-Inositol, 1-deoxy-6-O-methyl-, 5-[(2R)-2-methoxy-3-(octadecyloxy)propyl hydrogen phosphate]SH5 PIA5. LchiroInositol 1deoxy6Omethyl 5(2R)2methoxy3(octadecyloxy)propyl hydrogen phosphate. Akt inhibitor II
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 26
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 640
Physicochemical properties
- Boiling point
- 670.296 · 670.296±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.125 · 1.125±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- 10 mg/mL · DMSO: 10mg/mL
- form
- solid
- pka
- 1.393 · 1.393±0.50(predicted)
- color
- white
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- WGK Germany
- 1 · WGK 1
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 1
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesSH-5 is a potent AKT inhibitor. SH-5 potentiates the apoptosis induced by tumor necrosis factor. SH-5 blocks NF-kB activation induced by TNF-a, lipopolysaccharide (HY-D1056), phorbol ester (HY-18739), and cigarette smoke[1].
Suppliers9 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
维百奥（北京）生物科技有限公司13621190864 13691409741 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [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.
Compound notes
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