| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2008 | 13 | Yes |
Popular Name: Rasagiline Rasagiline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 136236-51-6 , 1506-18-9 , 161735-79-1 , 161735-79-1 , 185517-74-2 , 1875-50-9 , [136236-51-6] , [161735-79-1]
(1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine
(1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine; methanesulfonic acid
(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
(1R)-N-propargylindan-1-amine; (R)-N-2-Propynyl-1-indanamine; (R)-indan-1-yl-prop-2-ynyl-amine; RAS
(R)-2,3-Dihydro-N-2-propynyl-1H-inden-1-amine
(R)-N-(2-Propynyl)-2,3-dihydroinden-1-amine
(R)-N-(Prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine
(R)-N-(Prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine methanesulfonate
(R)-N-(Prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-aminemethanesulfonate
(R)-N-(Prop-2-ynyl)-2,3-dihydro-1H-inden-1-amine methanesulfonate
(S)-N-(2-Propynyl)-2,3-dihydroinden-1-amine
1-Indanamine, N-2-propynyl-, (R)-
136236-51-6; Azilect (TN); D08469; Rasagiline (USAN/INN)
161735-79-1; Azilect (TN); D02562; Rasagiline mesylate (USAN)
1H-Inden-1-amine, 2,3-dihydro-N-2-propyn-1-yl-, (1R)-, methanesulfonate (1:1)
1H-Inden-1-amine, 2,3-dihydro-N-2-propynyl-, (1R)
INN); Rasagiline Mesylate (FDA
N-(2-Propynyl)-2,3-dihydroinden-1-amine
N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine
N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine hydrochloride
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.10 | 5.49 | -3.09 | 1 | 1 | 0 | 12 | 171.243 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | 1433E_DROME; 1433Z_DROME; 3BP1_HUMAN; 3BP1_MOUSE; AB1IP_CHICK; AB1IP_DANRE; AB1IP_HUMAN; AB1IP_MOUSE; AB1IP_XENLA; ABI1_HUMAN; ABI1_MOUSE; ABI1_RAT; ADRB1_BOVIN; ADRB1_CANFA; ADRB1_FELCA; ADRB1_HUMAN; ADRB1_MACMU; ADRB1_MERUN; ADRB1_MOUSE; ADRB1_PIG; ADRB | ChEBI |
| MP | 178 - 180 | Enamine Building Blocks |
| MP | 178...180 | Enamine Building Blocks |
| ALOGPS_SOLUBILITY | 2.49e-02 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Therapy | antiparkinsonian | SMDC Pharmakon |
| Indications | antiparkinsons | KeyOrganics Bioactives |
| Warnings | IRRITANT | Matrix Scientific |
| Target | MAO | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFA-1-E | Monoamine Oxidase A (cluster #1 Of 8), Eukaryotic | Eukaryotes | 9700 | 0.54 | Binding ≤ 10μM |
| AOFB-1-E | Monoamine Oxidase B (cluster #1 Of 8), Eukaryotic | Eukaryotes | 700 | 0.66 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFA_HUMAN | P21397 | Monoamine Oxidase A, Human | 410 | 0.69 | Binding ≤ 1μM |
| AOFA_RAT | P21396 | Monoamine Oxidase A, Rat | 410 | 0.69 | Binding ≤ 1μM |
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 14 | 0.85 | Binding ≤ 1μM |
| AOFB_RAT | P19643 | Monoamine Oxidase B, Rat | 4.4 | 0.90 | Binding ≤ 1μM |
| AOFA_HUMAN | P21397 | Monoamine Oxidase A, Human | 410 | 0.69 | Binding ≤ 10μM |
| AOFA_RAT | P21396 | Monoamine Oxidase A, Rat | 410 | 0.69 | Binding ≤ 10μM |
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 14 | 0.85 | Binding ≤ 10μM |
| AOFB_RAT | P19643 | Monoamine Oxidase B, Rat | 4.4 | 0.90 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Enzymatic degradation of dopamine by COMT | |
| Enzymatic degradation of Dopamine by monoamine oxidase | |
| Metabolism of serotonin | |
| Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2 | |
| Norepinephrine Neurotransmitter Release Cycle |
