(1R,2S)-Tranylcypromine Hydrochloride - CAS 37388-05-9
Catalog: |
BB057361 |
Product Name: |
(1R,2S)-Tranylcypromine Hydrochloride |
CAS: |
37388-05-9 |
Synonyms: |
(-)-trans-Tranylcypromine Hydrochloride; (1R,2S)-2-Phenylcyclopropanamine Hydrochloride; l-Tranylcypromine Hydrochloride; [(1R,2S)-2-Phenylcyclopropyl]amine Hydrochloride |
IUPAC Name: | (1R,2S)-2-phenylcyclopropan-1-aminehydrochloride |
Description: | (1R,2S)-Tranylcypromine Hydrochloride, is used in the preparation of piperidine derivatives, which serve as LSD1 inhibitors for the treatment of cancer. (1R,2S)-Tranylcypromine-d5 Hydrochloride has also been shown to inhibit gastric emptying in rats. |
Molecular Weight: | 133.19 + (36.46) |
Molecular Formula: | C9H11N·HCl |
Canonical SMILES: | C1C(C1N)C2=CC=CC=C2.Cl |
InChI: | InChI=1S/C9H11N.ClH/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H21H/t8-,9+/m0./s1 |
InChI Key: | ZPEFMSTTZXJOTM-OULXEKPRSA-N |
Solubility: | >25.4 ug/ml |
References: | Vaisburg, A.; et al. PCT Int. Appl. 95pp. Patent 2017 CODEN:PIXXD2; Scivoletto, R.; et al. Eur. J. Pharmacol. 58, 49 (1979). |
GHS Hazard Statement: | H302 (92.86%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | 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 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
23571415 | 20130601 | Structure-based identification of OATP1B1/3 inhibitors | Molecular pharmacology |
22876979 | 20120913 | Low molecular weight amidoximes that act as potent inhibitors of lysine-specific demethylase 1 | Journal of medicinal chemistry |
20843939 | 20101201 | A predictive ligand-based Bayesian model for human drug-induced liver injury | Drug metabolism and disposition: the biological fate of chemicals |
19734910 | 20091001 | Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum | Nature chemical biology |
15537343 | 20041118 | Fluorinated phenylcyclopropylamines. 2. Effects of aromatic ring substitution and of absolute configuration on inhibition of microbial tyramine oxidase | Journal of medicinal chemistry |
15027872 | 20040325 | Fluorinated phenylcyclopropylamines. 1. Synthesis and effect of fluorine substitution at the cyclopropane ring on inhibition of microbial tyramine oxidase | Journal of medicinal chemistry |
Complexity: | 116 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.0658271 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.0658271 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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