Home > Name List By other > (Z)-7-[(1R,2S,3S, 4S)-3-(benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid

CAS No 112966-96-8 , (Z)-7-[(1R,2S,3S,
4S)-3-(benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid

  • Name: (Z)-7-[(1R,2S,3S,
    4S)-3-(benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
  • Synonyms: S-145;Domitroban; S-1452; 5,7-(3-Phenylsulfonylamino(2.2.1)bicyclohept-2-yl)heptenoic acid;(Z)-7-[(1R,2S,3S,
    4S)-3-(benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid;
  • CAS Registry Number:
  • Flash Point: 294.5°C
  • Boiling Point: 563.4°Cat760mmHg
  • Density: 1.26g/cm3
  • Refractive index: 1.594
  • Flash Point: 294.5°C
  • Molecular Weight: 377.49768
  • InchiKey: PWTCIBWRMQFJBC-ZEMKZVSASA-N
  • InChI: InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)
    21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,
    22,23)/b6-1-/t15-,16+,18+,20+/m1/s1
  • Molecular Formula: C20H27NO4S
  • Molecular Structure:CAS No:112966-96-8 (Z)-7-[(1R,2S,3S,<br />4S)-3-(benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid

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112966-96-8 Domitro

  • Domitro, Min 99%
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References of (Z)-7-[(1R,2S,3S,
4S)-3-(benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
Title: Domitroban
CAS Registry Number: 112966-96-8
CAS Name: (5Z)-7-[(1R,2S,3S,4S)-3-[(Phenylsulfonyl)amino]bicyclo[2.2.1]hept-2-yl]-5-heptenoic acid
Synonyms: (+)-(5Z)-7-[3-endo-[(phenylsulfonyl)amino]bicyclo[2.2.1]hept-2-exo-yl]-5-heptenoic acid
Manufacturers' Codes: (+)-S-145
Molecular Formula: C20H27NO4S
Molecular Weight: 377.50
Percent Composition: C 63.63%, H 7.21%, N 3.71%, O 16.95%, S 8.49%
Literature References: Thromboxane A2-receptor antagonist. Prepn of (±)-form: F. Watanabe et al., EP 226346; eidem, US 4861913 (1987, 1989 both to Shionogi); and isomers: M. Narisada et al., J. Med. Chem. 31, 1847 (1988). Prepn of (+)-form: M. J. Martinelli, J. Org. Chem. 55, 5065 (1990); M. Ohtani et al., ibid. 56, 2122 (1991). Pharmacology: A. Arimura et al., Int. Arch. Allergy Immunol. 98, 239 (1992). GC determn in plasma: J. Okamoto et al., J. Chromatogr. 583, 45 (1992); in urine: eidem, ibid. 53. Clinical pharmacokinetics: A. Fujimura et al., J. Clin. Pharmacol. 36, 409 (1996). Clinical evaluation in asthma: M. Fujimura et al., Pulm. Pharmacol. 8, 251 (1995).
Properties: Colorless crystals from toluene + hexane, mp 60-62°. uv max (ethanol): 225 nm (e 5270). [a]589 +28.7° (c = 1.00 in methanol).
Melting point: mp 60-62°
Optical Rotation: [a]589 +28.7° (c = 1.00 in methanol)
Absorption maximum: uv max (ethanol): 225 nm (e 5270)
 
Derivative Type: Calcium salt
CAS Registry Number: 132747-47-8
Manufacturers' Codes: S-1452
Trademarks: Anboxan (Shionogi)
Molecular Formula: C40H52CaN2O8S2
Molecular Weight: 793.06
Percent Composition: C 60.58%, H 6.61%, Ca 5.05%, N 3.53%, O 16.14%, S 8.09%
Properties: Prepd as the dihydrate. Colorless pillars, mp >300° (dec). [a]D26 +19.0 ±0.6° (c = 1.010 in methanol).
Melting point: mp >300° (dec)
Optical Rotation: [a]D26 +19.0 ±0.6° (c = 1.010 in methanol)
 
Derivative Type: (±)-Form
CAS Registry Number: 115266-92-7
Manufacturers' Codes: S-145
Properties: Colorless plates from ether + n-hexane, mp 85-86°.
Melting point: mp 85-86°
 
Therap-Cat: Antiasthmatic.
Keywords: Antiasthmatic (Nonbronchodilator); Thromboxane A2-Receptor Antagonist.