Lot numbers can be found on the outside label of a product:
Valdecoxib
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CAS No. 181695-72-7
- Cat. No. CS-1674
- Purity≥98%
- MDL No.MFCD00950568
*For research and further manufacturing use only, not for direct human use.
Structure of 181695-72-7
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General Information
- CAS No. 181695-72-7
- Cat. No. CS-1674
- Purity ≥98%
- MDL No. MFCD00950568
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₆H₁₄N₂O₃S
- Molecular Weight 314.37
- Synonym(s) SC 65872
- SMILES O=S(C1=CC=C(C2=C(C)ON=C2C3=CC=CC=C3)C=C1)(N)=O
Description
A selective COX-2 inhibitor, Valdecoxib (CAS 181695-72-7) suppresses prostaglandin E2 synthesis via irreversible binding to the cyclooxygenase-2 active site, demonstrating anti-inflammatory efficacy in preclinical models.
Application
Valdecoxib (CAS 181695-72-7) inhibits cyclooxygenase-2 in fibroblast cells with high selectivity, enabling precise study of inflammatory signaling pathways. It serves as a critical reference standard. Researchers rely on this compound for accurate quantification in UPLC-MS/MS workflows, ensuring reliable detection of valdecoxib levels in biological matrices like plasma.
Synthesis
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Route1
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181696-73-1 - ~60%
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In-stock
181695-72-7
References
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Sheikh, Ahmad Y.; Borchardt, Thomas B.; Ferro, Leonard J.; Danzer, Gerald D. Patent: US2003/232871 A1, 2003 ; Location in patent: Page 5 ;
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Route2
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In-stock
509074-26-4 - ~82%
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In-stock
181695-72-7
References
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Reddy, Anumula Raghupathi; Goverdhan, Gilla; Sampath, Aalla; Mukkanti, Khagga; Reddy, Padi Pratap; Bandichhor, Rakeshwar Synthetic Communications, 2012 , vol. 42, # 5 p. 639 - 649
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Route3
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952-06-7 -
108-24-7 - ~29%
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In-stock
181695-72-7
References
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Pfizer Inc. Patent: US2005/65130 A1, 2005 ; Location in patent: Page/Page column 6 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS08,GHS09
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H361-H373-H410
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Precautionary Statements : P260-P273-P314-P391-P501
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Quality Control
Computational Chemistry Data
- TPSA 86.19
- LogP 2.96442
- H_Acceptors 4
- H_Donors 1
- Rotatable_Bonds 3
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