Basic information
- CAS
100938-10-1- Standard SMILES
CC(C)C[C@@H](N)[C@H](O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C)C(C)C.Cl- InChIKey
GBDUPCKQTDKNLS-PORDUOSCSA-N- Molecular formula
- C21H39ClN4O8
- Average molar mass
- 511 g/mol
- Monoisotopic mass
- 510.2456419
Names & identifiers
- Preferred name
- Amastatin hydrochloride
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid;hydrochloride
- English name
- AMASTATIN HYDROCHLORIDE
- Molecular formula
- C21H38N4O8.ClH
- Molecular weight
- 511.01
Names & synonyms
Amastatin hydrochloride100938-10-1L-Aspartic acid, N-((2S,3R)-3-amino-2-hydroxy-5-methyl-1-oxohexyl)-L-valyl-L-valyl-, monohydrochlorideRefChem:318538Amastatin HClAmastatin hydrochloride hydrateAmastatin (hydrochloride)L-Aspartic acid, N-[(2S,3R)-3-amino-2-hydroxy-5-methyl-1-oxohexyl]-L-valyl-L-valyl-, monohydrochloride (9CI)Amastatin . HCl(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid;hydrochlorideC21H39ClN4O8BIMI-1803
Show more names
AMASTATINH-(2S,3R)-AHMH-VAL-VAL-ASP-OH HCLAmastatin hydrate hydrochloride4-formylphenyl-O-β-d-allopyranosideN((2S 3R)3-AMINO-2-HXY-5-ME.HEXANOYL)-L&Amastatinhydrochloridebiochemikasynthetic
Amastatinhydrochlorideorb1706023orb3033015SCHEMBL40078102DTXSID70905856GBDUPCKQTDKNLS-PORDUOSCSA-NMFCD00150636AKOS040744407
Properties
Computed structural properties
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 710
Physicochemical properties
- Melting point
- 202 · 202-205 °C
- storage temp.
- -20 °C · -20°C
- solubility
- 5 mg/mL, · methanol: 5 mg/mL, clear, colorless
- form
- White to off-white powder.
- color
- White to off-white
- biological source
- synthetic (organic)
- BRN
- 8888370 · 8888370
- InChIKey
- WBYDQJQQTMJMQH-AFROIDPFSA-N
- SMILES
- Cl[H].[H]O[H].CC(C)C[C@@H](N)[C@H](O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
- UNSPSC Code
- 12352202 · 12352202
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
Safety & regulation
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- F
- 10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2924190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Applications
UsesAmastatin is a slow, tight binding, competitive aminopeptidase (AP) inhibitor, first described as an inhibitor of human serum AP-A (glutamyl AP; IC50 = 0.54 μg/ml) but not of AP-B (arginine AP). It also inhibits AP-N (AP-M, alanyl AP; Ki = 20-200 nM), leucyl-cystinyl AP (Ki = 20-220 nM), and endoplasmic reticulum AP 1 (Ki = 41.8 μM). Amastatin is without effect on trypsin, papain, chymotrypsin, elastase, pepsin, or thermolysin.[Cayman Chemical]
General DescriptionChemical structure: peptide
Suppliers68 total
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
Aladdin Scientific[email protected]
上海鸿肽生物科技有限公司15318089928 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…