Natural Product (NP) Details

General Information of the NP (ID: NP0996)
Name
Bucillamine
Synonyms
bucillamine; 65002-17-7; Tiobutarit; Rimatil; N-(2-Mercapto-2-methylpropionyl)-L-cysteine; UNII-R80LRA5WTF; De-019; N-(2-Mercapto-2-methylpropanoyl)-L-cysteine; R80LRA5WTF; N-(2-Mercapto-2-methyl-1-oxopropyl)-L-cysteine; (R)-3-mercapto-2-(2-mercapto-2-methylpropanamido)propanoic acid; CHEMBL80830; L-CYSTEINE, N-(2-MERCAPTO-2-METHYL-1-OXOPROPYL)-; Thiobutarit; DSSTox_CID_28513; DSSTox_RID_82785; DSSTox_GSID_48587; Bucilamina; Bucillaminum; (R)-3-Mercapto-2-(2-mercapto-2-methylpropanamido)-propanoic acid; CAS-65002-17-7; Bucilamina [Spanish]; Bucillaminum [Latin]; (2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid; Bucillamine [INN:JAN]; C7H13NO3S2; CCRIS 5260; SA96; N-(2-Mercaptoisobutyryl)cysteine; SA-96; NCGC00182062-02; NCGC00183271-01; Bucilant (TN); N-(2-Mercaptoisobutyryl)-L-cysteine; Bucillamine (JP17/INN); MLS006010100; SCHEMBL121965; DTXSID2048587; CHEBI:31312; ZINC20222; QCR-239; BCP12127; Tox21_112916; Tox21_113147; BDBM50406934; MFCD00867570; RB3025; AKOS015841445; AKOS015895462; AM62722; DB12160; KS-1449; AC-32465; K055; SMR004701240; AB0007152; D01809; 002B177; A834941; SR-01000883966; Q-101254; Q4982752; SR-01000883966-1; (2R)-2-[(2-methyl-2-sulfanyl-propanoyl)amino]-3-sulfanyl-propanoic acid; (2R)-3-mercapto-2-[(2-mercapto-2-methyl-1-oxopropyl)amino]propanoic acid
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Species Origin Homo sapiens ...     Click to Show/Hide
Homo sapiens
Kingdom: Metazoa
Phylum: Chordata
Class: Mammalia
Order: Primates
Family: Hominidae
Genus: Homo
Species: Homo sapiens
Disease Immune system disease [ICD-11: 4A01-4B41] Approved [1]
Structure
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2D MOL

3D MOL

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Formula
C7H13NO3S2
PubChem CID
656604
Canonical SMILES
CC(C)(C(=O)NC(CS)C(=O)O)S
InChI
1S/C7H13NO3S2/c1-7(2,13)6(11)8-4(3-12)5(9)10/h4,12-13H,3H2,1-2H3,(H,8,11)(H,9,10)/t4-/m0/s1
InChIKey
VUAFHZCUKUDDBC-BYPYZUCNSA-N
CAS Number
CAS 65002-17-7
ChEBI ID
CHEBI:31312
TTD Drug ID
D01FJT
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP
          Salazosulfapyridine + Methotrexate     Click to Show/Hide the Molecular Data of This Drug
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    In-vivo Model Clinical Trial
                    Experimental
                    Result(s)		 The triple DMARD combination therapy provided a new treatment option for those patients for whom treatment with biologics is difficult.
References
Reference 1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
Reference 2 The usefulness of a new triple combination treatment utilizing methotrexate, salazosulfapyridine, and bucillamine in rheumatoid arthritis. Mod Rheumatol. 2016;26(1):51-6.
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