Methyl (16alpha,17alpha,20alpha)-17-hydroxyyohimban-16-carboxylate | CAS No. 522-94-1

Methyl (16alpha,17alpha,20alpha)-17-hydroxyyohimban-16-carboxylate

Basic Information

CAS Number

522-94-1

Molecular Formula

C21H26N2O3

Molecular Weight

354.45 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

98-99°; anhydrous form melts at 135-140°

Specific Rotation

D19 +84° (c = 0.40 in pyridine)

COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O

InChI

InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18+,19-/m1/s1

InChIKey

BLGXFZZNTVWLAY-FJDMERLMSA-N

LogP

2.6471000000000013

Topological Polar Surface Area

65.56 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

555

Synonyms & References

English

  • Alloyohimbin
  • FS-7819
  • methyl 17alpha-hydroxy-20alpha-yohimban-16alpha-carboxylate
  • Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16-alpha,17-alpha,20-alpha)-
  • (1r,2s,4as,13bs,14aS)-2-hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester, AldrichCPR
  • NCGC00025018-03
  • methyl (16alpha,17alpha,20alpha)-17-hydroxyyohimban-16-carboxylate
  • Q27121267
  • YOHIMBAN-16-CARBOXYLIC ACID, 17-HYDROXY-, METHYL ESTER, (16.ALPHA.,17.ALPHA.,20.ALPHA.)-
  • methyl (1S,15S,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
  • ALLO-YOHIMBINE [MI]
  • CHEMBL1526082
  • 522-94-1
  • allo-Yohimbine
  • AKOS040750337
  • NCGC00025018-02
  • NCGC00025018-04
  • 60AHA8MSG9
  • DTXSID601317509
  • CHEBI:48567
  • (16alpha,17alpha,20alpha)-17-hydroxyyohimban-16-carboxylic acid methyl ester
  • UNII-60AHA8MSG9
  • Alloyohimbine
  • SCHEMBL453033
  • Yohimban-16-carboxylicacid, 17-hydroxy-, methyl ester, (16a,17a,20a)-
  • allo-yohimbine
  • Methyl (16α,17α,20α)-17-hydroxyyohimban-16-carboxylate

MDL Number

MFCD01741369

FAQ

What is Methyl (16alpha,17alpha,20alpha)-17-hydroxyyohimban-16-carboxylate (CAS: 522-94-1)?

Methyl (16alpha,17alpha,20alpha)-17-hydroxyyohimban-16-carboxylate is a derivative of yohimbane, commonly used in pharmaceutical research for its potential as an inhibitor of certain enzymes. It has a molecular formula of C23H28O5.

What are the main uses of Methyl (16alpha,17alpha,20alpha)-17-hydroxyyohimban-16-carboxylate (CAS: 522-94-1)?

This compound is primarily used in research settings to study the effects of yohimbane derivatives on various biological systems, particularly for inhibiting phosphodiesterase-4 (PDE4) enzymes, which are involved in inflammatory processes and immune responses.

Is Methyl (16alpha,17alpha,20alpha)-17-hydroxyyohimban-16-carboxylate (CAS: 522-94-1) safe?

While generally safe under controlled laboratory conditions, this compound should be handled with caution due to its pharmacological properties. Proper personal protective equipment and safety measures should be followed to avoid accidental exposure.

How should Methyl (16alpha,17alpha,20alpha)-17-hydroxyyohimban-16-carboxylate (CAS: 522-94-1) be stored?

This compound should be stored in a cool, dry place, protected from light and moisture. It should be kept in a tightly sealed container, away from heat sources and direct sunlight. Storage at room temperature (15-25°C) is recommended to maintain its stability and potency.

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