Prodrug Information
Prodrug General Information | Top | |||||
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Prodrug ID |
DP56MS
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Prodrug Name |
Parecoxib
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Synonyms |
Dynastat; SC-69124; SC 69124; CHEBI:73038; UNII-9TUW81Y3CE; 9TUW81Y3CE; Parecoxib [USAN:INN:BAN]; Valus-P; Vorth-P; Parocoxib; parecoxibum; Valdecoxib Impurity J; Parecoxib (USAN/INN); SCHEMBL9529; GTPL2895; CHEMBL1206690; DTXSID1044229; HMS3741C09; HMS3885L14; BCP07254; EX-A1993; ZINC5761797; BDBM50506744; CP0130; s4656; AKOS025401810; CCG-268299; CS-1959; DB08439; SC69124; NCGC00181773-03; NCGC00181773-05; NCGC00378576-02; AC-25842; AS-72353; HY-17474; LS-184101; FT-0697932; Y1120; Parecoxib, VETRANAL(TM), analytical standard; D03716; Q347941; J-523329; BRD-K13800121-236-01-7
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Indication | Postoperative pain [ICD-11: MG30-MG3Z; ICD-10: G89] | Approved in EU | [1] | |||
Activation |
Prodrug |
Parent Drug |
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2D MOL 3D MOL | 2D MOL 3D MOL | |||||
(1) Bioconversion Enzyme:
Carboxylesterase in liver
(EC 3.1)
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[2] | |||||
Prodrug Strategy |
Classical prodrug strategy
[Carrier linked prodrug]
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Improved property |
Increase solubility
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[2] | ||||
Formula |
C19H18N2O4S
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Canonical SMILES |
CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C
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InChI |
1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22)
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InChIKey |
TZRHLKRLEZJVIJ-UHFFFAOYSA-N
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CAS Number |
CAS 198470-84-7
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PubChem Compound ID | ||||||
ChEBI ID |
CHEBI:73038
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Parent Drug General Information | Top | |||||
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Parent Drug ID |
DM10TC
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Parent Drug Name |
Valdecoxib
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Synonyms |
Bextra; SC 65872; SC-65872; Valdyn; Kudeq; YM-974; HSDB 7302; UNII-2919279Q3W; CHEMBL865; Valdecoxib-13C2,15N; CHEBI:63634; MFCD00950568; Valecoxib; CAS-181695-72-7; Valdecoxib (USAN/INN); Valdecoxib [USAN:INN:BAN]; Valdecoxib/; SCHEMBL3356; MLS000759433; MLS001165699; MLS001195631; MLS001424105; 4-(Methyl-3-phenyl-isoxazol-4-yl)-benzenesulfonamide; Valdecoxib, >=98% (HPLC); BDBM13063; CTK8E7482
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Formula |
C16H14N2O3S
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Canonical SMILES |
CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N
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InChI |
1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
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InChIKey |
LNPDTQAFDNKSHK-UHFFFAOYSA-N
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CAS Number |
CAS 181695-72-7
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PubChem Compound ID | ||||||
ChEBI ID |
CHEBI:63634
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References | Top | |||||
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REF 1 | The safety profile of parecoxib for the treatment of postoperative pain: a pooled analysis of 28 randomized, double-blind, placebo-controlled clinical trials and a review of over 10 years of postauthorization data. J Pain Res. 2017 Oct 10;10:2451-2459. | |||||
REF 2 | Effects of parecoxib, a parenteral COX-2-specific inhibitor, on the pharmacokinetics and pharmacodynamics of propofol. Anesthesiology. 2002 Jan;96(1):88-95. |
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