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CAS No 65002-17-7 , (2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid

  • Name: (2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid
  • Synonyms: Thiobutarit;Tiobutarit; Rimatil; DSSTox_CID_28513; CHEMBL80830; De-019;(2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid; N-(2-MERCAPTO-2-METHYL-1-OXOPROPYL)-; L-CYSTEINE; 65002-17-7;
  • CAS Registry Number:
  • Density: 1.289 g/cm3
  • Refractive index: 1.552
  • Safety Statements: Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion and subcutaneous routes. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of SOx and NOx. An anti-rheumatic agent. See also MERCAPTANS.
  • Molecular Weight: 223.31302
  • InchiKey: VUAFHZCUKUDDBC-BYPYZUCNSA-N
  • InChI: 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
  • Molecular Formula: C7H13NO3S2
  • Molecular Structure:CAS No:65002-17-7 (2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid

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References of (2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid
Title: Bucillamine
CAS Registry Number: 65002-17-7
CAS Name: N-(2-Mercapto-2-methyl-1-oxopropyl)-L-cysteine
Synonyms: N-(2-mercapto-2-methylpropanoyl)-L-cysteine; N-(2-mercaptoisobutyryl)-L-cysteine; tiobutarit; thiobutarit
Manufacturers' Codes: DE-019; SA-96
Trademarks: Rimatil (Santen)
Molecular Formula: C7H13NO3S2
Molecular Weight: 223.31
Percent Composition: C 37.65%, H 5.87%, N 6.27%, O 21.49%, S 28.72%
Literature References: Disease modifying antirheumatic drug (DMARD) which modulates the immune response; structurally related to tiopronin, q.v. Prepn: T. Fujita et al., DE 2709820; eidem, US 4305958 (1977, 1981 both to Santen); M. Oya et al., Chem. Pharm. Bull. 29, 940 (1981). GC-MS determn in blood: K. Matsuura et al., J. Mass Spectrom. Soc. Jpn. 46, 25 (1998). Clinical immunopharmacology: H. Matsuno et al., Drugs Exp. Clin. Res. 19, 205 (1993). Clinical trials in rheumatoid arthritis: M. Yasuda et al., Clin. Rheumatol. 13, 446 (1994); H. A. Kim, Y. W. Song, Rheumatol. Int. 17, 5 (1997).
Properties: Crystals from ethyl acetate, mp 139-140°. [a]D25 +32.3° (c = 1.0 in ethanol). LD50 in mice (mg/kg): 2285 i.p.; 989.6 i.v. (Fujita, 1981).
Melting point: mp 139-140°
Optical Rotation: [a]D25 +32.3° (c = 1.0 in ethanol)
Toxicity data: LD50 in mice (mg/kg): 2285 i.p.; 989.6 i.v. (Fujita, 1981)
Therap-Cat: Antirheumatic.
Keywords: Antiarthritic/Antirheumatic; Immunomodulator.