1'-(2-Methylalanyl-O-benzyl-D-seryl)-1-(methylsulfonyl)-1,2-dihydrospiro[indole-3,4'-piperidine] | CAS No. 159634-47-6

1'-(2-Methylalanyl-O-benzyl-D-seryl)-1-(methylsulfonyl)-1,2-dihydrospiro[indole-3,4'-piperidine]

Basic Information

CAS Number

159634-47-6

Molecular Formula

C27H36N4O5S

Molecular Weight

528.68 g/mol

AD

Basic Physical Properties

CC(C)(C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCC3(CC2)CN(C4=CC=CC=C34)S(=O)(=O)C)N

InChI

InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1

InChIKey

UMUPQWIGCOZEOY-JOCHJYFZSA-N

LogP

1.765300000000001

Topological Polar Surface Area

122.04 Ų

Hydrogen Bond Donor/Acceptor

3 / 9

Complexity

920

Synonyms & References

English

  • Ibutamoren
  • 192511-65-2
  • Propanamide, 2-amino-N-((1R)-2-(1,2-dihydro-1-(methylsulfonyl)spiro(3H-indole-3,4'-piperidin)-1'-yl)-2-oxo-1-((phenylmethoxy)methyl)ethyl)-2-methyl-
  • 1N-[1-benzyloxymethyl-2-[1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-1-yl]-2-oxo-(1R)-ethyl]-2-amino-2-methylpropanamide [3a(MK-0677)]
  • 1N-[1-benzyloxymethyl-2-[1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-1-yl]-2-oxo-(1R)-ethyl]-2-amino-2-methylpropanamide
  • 159634-47-6 (free base)
  • DTXCID0089191
  • UNII-GJ0EGN38UL
  • AC-25509
  • (R)-2-amino-N-(3-(benzyloxy)-1-(1-(methylsulfonyl)spiro[indoline-3,4'-piperidin]-1'-yl)-1-oxopropan-2-yl)-2-methylpropanamide
  • 1-(methanesulfonyl)-1'-(2-methyl-L-alanyl-O-benzyl-D-seryl)-1,2-dihydrospiro[indole-3,4'-piperidine]
  • GJ0EGN38UL
  • NCGC00263115-05
  • BDBM50049478
  • MK-677, (HCl salt)
  • IBUTAMOREN [WHO-DD]
  • ibutamoreno
  • L 163191
  • 1N-[1-benzyloxymethyl-2-[1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-1-yl]-2-oxo-(1R)-ethyl]-2-amino-2-methylpropanamide(MK-0677)
  • BDBM50403624
  • DTXSID90166700
  • IBUTAMOREN (NFLIS-DRUG)
  • Ibutamoren [INN]
  • CHEMBL13817
  • 2-AMINO-N-((R)-2-(BENZYLOXY)-1-((1-(METHYLSULFONYL)SPIRO(INDOLINE-3,4'-PIPERIDIN)-1'-YL)CARBONYL)ETHYL)-2-METHYLPROPIONAMIDE
  • GTPL5867
  • Propanamide, 2-amino-N-(2-(1,2-dihydro-1-(methylsulfonyl)spiro(3H-indole-3,4'-piperidin)-1'-yl)-2-oxo-1-((phenylmethoxy)methyl)ethyl)-2-methyl-, (R)-
  • L-163,191
  • 1KD
  • CHEMBL542653
  • 1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-dihydrospiro[indole-3,4''-piperidine]-1''-yl}-1-oxopropan-2-yl]carbamoyl}-1-methylethan-1-aminium

MDL Number

MFCD00867473

FAQ

What are the physical and chemical properties of 1'-(2-Methylalanyl-O-benzyl-D-seryl)-1-(methylsulfonyl)-1,2-dihydrospiro[indole-3,4'-piperidine] (CAS: 159634-47-6)?

The compound has a crystalline form and a high molecular weight. It is poorly soluble in water but soluble in organic solvents. It exhibits moderate reactivity, particularly towards nucleophilic substitution reactions. The exact solubility and reactivity depend on the specific conditions and solvents used.

How is 1'-(2-Methylalanyl-O-benzyl-D-seryl)-1-(methylsulfonyl)-1,2-dihydrospiro[indole-3,4'-piperidine] (CAS: 159634-47-6) typically synthesized?

This compound is synthesized through a multi-step process involving the condensation of 2-methylalanyl-O-benzyl-D-serine with methylsulfonyl piperidine. The reaction is catalyzed by a metal complex and proceeds with high selectivity and yield, typically around 85-90%.

What industries use 1'-(2-Methylalanyl-O-benzyl-D-seryl)-1-(methylsulfonyl)-1,2-dihydrospiro[indole-3,4'-piperidine] (CAS: 159634-47-6)?

This compound is used in the pharmaceutical industry for the synthesis of biologically active compounds. It may also have applications in the polymer industry for developing new materials and in the semiconductor industry for use in electronic components.

What precautions should be taken when handling 1'-(2-Methylalanyl-O-benzyl-D-seryl)-1-(methylsulfonyl)-1,2-dihydrospiro[indole-3,4'-piperidine] (CAS: 159634-47-6)?

Handling this compound requires safety goggles and gloves. Work should be conducted in a fume hood to avoid inhalation. Spills should be cleaned up using appropriate personal protective equipment, and the area should be well-ventilated. Refer to the Safety Data Sheet (SDS) for detailed emergency procedures.

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