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11β-Hydroxyprogesterone

11β-Hydroxyprogesterone structure

CAS No:
600-57-7
Formula:
C21H30O3
Chemical Name:
11β-Hydroxyprogesterone
Synonyms:
Pregn-4-ene-3,20-dione,11-hydroxy-,(11β)-;Pregn-4-ene-3,20-dione,11β-hydroxy-;(11β)-11-Hydroxypregn-4-ene-3,20-dione;11β-Hydroxyprogesterone;Pregn-4-en-11β-ol-3,20-dione;11β-Hydroxy-4-pregnene-3,20-dione;Δ4-Pregnene-11β-ol-3,20-dione;Pregn-4-ene-11β-ol-3,20-dione;21-Deoxycorticosterone;U 1701;NSC 15469;11β-Hydroxy-P4
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

11beta-Hydroxyprogesterone is a potent inhibitors of 11β-Hydroxysteroid dehydrogenase; also activates human mineralocorticoid receptor in COS-7 cells with an ED50 of 10 nM.

Solid

11beta-hydroxyprogesterone is a 11beta-hydroxy steroid that is progesterone substituted by a beta-hydroxy group at position 11. It has a role as a human metabolite and a mouse metabolite. It derives from a progesterone.

11β-Hydroxyprogesterone Basic Attributes

Molecular Weight：

330.46

Exact Mass：

330.46

EC Number：

209-995-8

NSC Number：

15469

Characteristics

PSA：

54.4

XLogP3：

3.69430

Appearance：

Solid

Density：

1.15g/cm3

Melting Point：

186-188 °C

Boiling Point：

487.4ºC at 760 mmHg

Flash Point：

262.7ºC

Refractive Index：

1.557

Water Solubility：

30.84mg/L(37 ºC)

Collision Cross Section：

182.3 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|180.95 Å² [M-H2O-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

Drug Information

MeSH：

Compounds that interact with PROGESTERONE RECEPTORS in target tissues to bring about the effects similar to those of PROGESTERONE. Primary actions of progestins, including natural and synthetic steroids, are on the UTERUS and the MAMMARY GLAND in preparation for and in maintenance of PREGNANCY. (See all compounds classified as Progestins.)

MeSH Entry Terms：

11 alpha-hydroxyprogesterone

11β-Hydroxyprogesterone Use and Manufacturing

Use Classification：

Lipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]

Computed Properties

Molecular Weight:330.5
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:330.21949481
Monoisotopic Mass:330.21949481
Topological Polar Surface Area:54.4
Heavy Atom Count:24
Complexity:621
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes