Basic information
- CAS
314266-76-7- Standard SMILES
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O- InChIKey
JCNFYXCBSRPSLY-QYTLZHMISA-N- Molecular formula
- C41H64N8O14
- Average molar mass
- 893 g/mol
- Monoisotopic mass
- 892.45419875
Overview
eight-residue memapsin 2 inhibitor; structure in first source
Names & identifiers
- Preferred name
- OM-99-2
- IUPAC
- (4S)-4-amino-5-[[(2S)-1-[[(2S)-4-amino-1-[[(4S,5S,7R)-8-[[(2S)-1-[[(2S)-4-carboxy-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
- English name
- OM99-2
- Molecular formula
- C41H64N8O14
- Molecular weight
- 892.99
Names & synonyms
OM99-2314266-76-7OM-99-24ZNA144ZS0OM 99-2RefChem:928193EVNLPsiAAEFGlu-Val-Asn-Leu-Ala-Ala-Glu-PheCHEMBL78946(4S)-4-amino-5-[[(2S)-1-[[(2S)-4-amino-1-[[(4S,5S,7R)-8-[[(2S)-1-[[(2S)-4-carboxy-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid1fknEVNXXAEF
Show more names
EVNL-PSI-AAEFInSolution? OM99-2InSolution OM99-2 - CAS 314266-76-7 - CalbiochemGLU-VAL-ASN-(2R,4S,5S)-5-AMINO-*4-HYDROXY-2,7-DIMETglu-val-asn-[(2r,4s,5s)-5-amino-4-hydroxy-2,7-dimethyloctanoyl]-ala-glu-phe[2-AMINOBENZOYL-GLY1]-GALANIN FRAGMENT (1-10)-LYS(RETRO-M-NITRO-TYR) AMIDE HUMANH-GLU-VAL-ASN-[(2R,4S,5S)-5-AMINO-4-HYDROXY-2,7-DIMETHYL-OCTANOYL]-ALA-GLU-PHE-OHGlu-Val-Asn-[(2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoyl]-Ala-Glu-Phe >93% (HPLC), solid
Properties
Computed structural properties
- XLogP
- -2.9
- Topological polar surface area
- 376 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 29
- Heavy atoms
- 63
- Formal charge
- 0
- Complexity
- 1,600
Physicochemical properties
- Boiling point
- 1346.5 · 1346.5±65.0 °C(Predicted)
- Density
- 1.289 · 1.289±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- form
- solid
- pka
- 3.48 · 3.48±0.10(Predicted)
- InChIKey
- JCNFYXCBSRPSLY-QYTLZHMISA-N
- FDA UNII
- 4 ZNA144ZS0 · 4ZNA144ZS0
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- Storage Class
- 10 · 10 - Combustible liquids
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
- 3
- safety_code
- 22-24/25
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Applications
UsesOM99-2, an eight residue peptidomimetic, tight-binding inhibitor of human brain memapsin 2 with a Ki value of 9.58 nM[1]. OM99-2 is significantly advanced the development of BACE1 inhibitor[2]. OM99-2 has the potential for the research of the Alzheimer's disease[3].
Suppliers24 total
上海鸿肽生物科技有限公司15318089928 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Creative Peptides[email protected]
太原百利恒康生物技术有限公司19135651983 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
南京肽谷生物科技有限公司18115476705 · [email protected]
成都云希化工有限公司+86-17380623303 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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