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经验公式(希尔记法):
C27H30F6N2O2
化学文摘社编号:
分子量:
528.53
UNSPSC Code:
51111800
PubChem Substance ID:
NACRES:
NA.77
MDL number:
Assay:
≥98% (HPLC)
Form:
powder
产品名称
度他雄胺, ≥98% (HPLC)
Quality Segment
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)
Biochem/physiol Actions
度他雄胺是1型和2型5α-还原酶同工酶的有效双重抑制剂 (IC50 = 6 nM 5-AR1; 7 nM 5-AR2)。度他雄胺可阻断睾丸激素向二氢睾丸酮的转化,并在临床上用于治疗良性前列腺增生 (BPH)。
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signalword
Danger
hcodes
Hazard Classifications
Carc. 2 - Repr. 1B
存储类别
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
