Ticagrelor Related Compound 63 - CAS 1314324-00-9
Catalog: |
BB007322 |
Product Name: |
Ticagrelor Related Compound 63 |
CAS: |
1314324-00-9 |
Synonyms: |
(1R,2S)-2-(4-fluorophenyl)-1-cyclopropanamine;hydrochloride; (1R,2S)-2-(4-fluorophenyl)cyclopropan-1-amine;hydrochloride |
IUPAC Name: | (1R,2S)-2-(4-fluorophenyl)cyclopropan-1-amine |
Description: | An impurity of Ticagrelor which is a reversible P2Y12 receptor antagonist and is unique in its greater and more rapid and consistent, yet reversible, inhibition of the ADP receptor. |
Molecular Weight: | 151.18 |
Molecular Formula: | C9H10FN |
Canonical SMILES: | C1C(C1N)C2=CC=C(C=C2)F |
InChI: | InChI=1S/C9H10FN.ClH/c10-7-3-1-6(2-4-7)8-5-9(8)11;/h1-4,8-9H,5,11H2;1H/t8-,9+;/m0./s1 |
InChI Key: | ZQPBZLHQLCAFOQ-OULXEKPRSA-N |
Purity: | 95 % |
Solubility: | Soluble in DMSO |
Appearance: | Solid |
Storage: | Store at -20 °C |
LogP: | 3.14260 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111194306-A | Methods and processes for preparing KDM1A inhibitors | 20160816 |
US-2021139437-A1 | Methods and processes for the preparation of kdm1a inhibitors | 20160816 |
AU-2017263361-A1 | Cyclopropyl-amide compounds as dual LSD1/HDAC inhibitors | 20160509 |
CA-3022561-A1 | Cyclopropyl-amide compounds as dual lsd1/hdac inhibitors | 20160509 |
EP-3455204-A1 | Cyclopropyl-amide compounds as dual lsd1/hdac inhibitors | 20160509 |
PMID | Publication Date | Title | Journal |
21382717 | 20110615 | Enantioselective synthesis of tranylcypromine analogues as lysine demethylase (LSD1) inhibitors | Bioorganic & medicinal chemistry |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.0564052 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.0564052 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Amines and Anilines
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