Grundinformationen
- Standard-SMILES
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O- InChIKey
VGGGPCQERPFHOB-RDBSUJKOSA-N- Summenformel
- C16H24N2O4
- Durchschnittliche Molmasse
- 308,37 g/mol
- Monoisotopische Masse
- 308,17360725
Namen und Bezeichner
- Bevorzugter Name
- Ubenimex
- IUPAC
- (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid
- Englischer Name
- Bestatin hydrochloride
- Summenformel
- C16H25ClN2O4
- Molmasse
- 344.83
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
58970-76-6、65391-42-6- PubChem CID
- 72172
- DTXSID
DTXSID301369975- ChEMBL
CHEMBL29292- UNII
- I0J33N5627
- EC Number
- 261-529-2
- Nikkaji
- J12.831G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1
- Polarare Oberfläche (TPSA)
- 113 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 367
Physikochemische Eigenschaften
- Schmelzpunkt
- 216 · 216-218 °C
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 2 O: · H2O: 25 mg/mL, clear, colorless
- Aggregatzustand
- White to off-white powder.
- Farbe
- White
- Biologische Quelle
- synthetic (organic)
- Wasserlöslichkeit
- Soluble in water (4 mg/ml, warm), DMSO (>25 mg/ml), methanol, acetic acid, dimethyl formamide, and 100% ethanol.
- BRN
- 4628066 · 4628066
- Stabilität
- 2 years · Stable for 2 years from date of purchase as supplied. Solutions in DMSO, distilled water, or ethanol may be stored at -20° for up to 1 month.
- InChI
- 1S/C16H24N2O4.ClH/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11;/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22);1H/t12-,13+,14+;/m1./s1
- InChIKey
- XGDFITZJGKUSDK-UDYGKFQRSA-N
- SMILES
- O=C(N[C@@H](CC(C)C)C(O)=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1.Cl[H]
- CAS Datenbank
- 65391 · 65391-42-6(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Sicherheitsdaten
- F
- 3-10
- wgk
- 3
- hs_code
- 29242995
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 22-24/25-36-26
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity.
Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.
Biologically active substances whose activities affect or play a role in the functioning of the immune system.
Compounds which inhibit or antagonize biosynthesis or actions of proteases (ENDOPEPTIDASES).
Agents used to treat AIDS and/or stop the spread of the HIV infection. These do not include drugs used to treat symptoms or opportunistic infections associated with AIDS.
Substances that inhibit the growth or reproduction of BACTERIA.
Anwendungen
Verwendencompetitive aminopeptidase B inhibitor
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