SML1221

Dutasteride

≥98% (HPLC)

• Synonym(s): 17β-N-[2,5-Bis(trifluoromethyl)phenyl]carbamoyl-4-aza-5α-androst-1-en-3-one, (5α,17β)-N-[2,5-Bis(trifluoromethyl)phenyl]-3-oxo-4-azaandrost-1-ene-17-carboxamide
• Empirical Formula (Hill Notation): C₂₇H₃₀F₆N₂O₂
• CAS Number: 164656-23-9
• Molecular Weight: 528.53
• MDL number: MFCD00937869
• UNSPSC Code: 51111800
• PubChem Substance ID: 329825728
• NACRES: NA.77

Properties

• Quality Level: 100
• Assay: ≥98% (HPLC)
• form: powder
• optical activity: [α]/D +18 to +24°, c = 1 in chloroform-d
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: −20°C
• SMILES string: O=C1C=C[C@@]2(C)[C@](CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@@H]4C(NC5=CC(C(F)(F)F)=CC=C5C(F)(F)F)=O)([H])N1
• InChI: 1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21+,24-,25+/m0/s1
• InChI key: JWJOTENAMICLJG-QWBYCMEYSA-N
• Gene Information: human ... SRD5A1(6715) , SRD5A2(6716) , SRD5A3(79644)

Description

Biochem/physiol Actions

Dutasteride is a potent dual inhibitor of 5α-reductase isoenzymes types 1 and 2 (IC₅₀ = 6 nM 5-AR1; 7 nM 5-AR2). Dutasteride blocks testosterone conversion to dihydrotesterone, and is used clinically for treating benign prostatic hyperplasia (BPH).

Safety Information

• Pictograms: GHS08
• Signal Word: Danger
• Hazard Statements: H351,H360FD
• Precautionary Statements: P201 - P202 - P280 - P308 + P313 - P405 - P501
• Hazard Classifications: Carc. 2 - Repr. 1B
• Storage Class Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable