(3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Grundinformationen
- CAS
128502-56-7- Standard-SMILES
O=C(O)[C@@H]1Cc2ccc(O)cc2CN1- InChIKey
HIKCRLDSCSWXML-VIFPVBQESA-N- Summenformel
- C10H11NO3
- Durchschnittliche Molmasse
- 193,2 g/mol
- Monoisotopische Masse
- 193,07389321
Namen und Bezeichner
- Bevorzugter Name
- (3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
- IUPAC
- (3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
- Englischer Name
- L-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
- Summenformel
- C10H11NO3
- Molmasse
- 193.2
Namen und Synonyme
128502-56-7(3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acidRefChem:401453802-765-3(S)-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acidL-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acidMFCD00144534128506-12-77-Hydroxy-(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid(S)-1,2,3,4-TETRAHYDRO-7-HYDROXYISOQUINOLINE-3-CARBOXYLIC ACID 98per cent(S)-1,2,3,4-TETRAHYDRO-7-HYDROXYISOQUINOLINE-3-CARBOXYLIC ACIDH-7-Hydroxy-Tic-OH
Weitere Namen anzeigen
H-Tic(OH)-OHL-7-HYDROXY-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACIDL-TIC(OH)L-Tic(7-OH)-OHH-L-Tic(7-OH)-OHTic(OH)-OH·2 H2OH-TIC(OH)-OH 2 H2O
H-Tic(7-OH)-OHHIKCRLDSCSWXML-VIFPVBQESA-N3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-7-hydroxy-, (3S)-L-7-Hydroxy-TicSCHEMBL539874orb3180612SCHEMBL29588998TPL0187
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,7
- Polarare Oberfläche (TPSA)
- 69,6 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 231
Physikochemische Eigenschaften
- Schmelzpunkt
- 273 · 273-275 °C
- Siedepunkt
- 329.41 °C · 329.41°C (rough estimate)
- Dichte
- 1.2307 · 1.2307 (rough estimate)
- Brechungsindex
- 1.53 · 1.5300 (estimate)
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- pka
- 2.19 · 2.19±0.20(Predicted)
- InChI
- InChI=1S/C10H11NO3/c12-8-2-1-6-4-9(10(13)14)11-5-7(6)3-8/h1-3,9,11-12H,4-5H2,(H,13,14)/t9-/m0/s1
- InChIKey
- HIKCRLDSCSWXML-VIFPVBQESA-N
- SMILES
- C1C2=C(C=CC(O)=C2)C[C@@H](C(O)=O)N1
- CAS Datenbank
- 128502 · 128502-56-7(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- hs_code
- 29334990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-26
Chemie und Industrie
Anwendungen
VerwendenL-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid is a possible histone deacetylases (HDACs) inhibitor. It is used in the design of boronic acid-based autotaxin inhibitors.
Anbieter91 Anbieter
江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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