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1'-(2-Methylalanyl-O-benzyl-D-seryl)-1-(methylsulfonyl)-1,2-dihydrospiro[indole-3,4'-piperidine] methanesulfonate (1:1) | CAS No. 159752-10-0

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

Basic Information

Chemical_Structure_Of
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CAS Number

159752-10-0

Molecular Formula

C28H40N4O8S2

Molecular Weight

624.78 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Amines
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

868.9°C at 760 mmHg

Solubility

H2O: soluble5mg/mL, clear

SMILES

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CC(C)(C(=O)N[C@H](COCc1ccccc1)C(=O)N2CCC3(CC2)CN(c4c3cccc4)S(=O)(=O)C)N.CS(=O)(=O)O

InChI

InChI=1S/C27H36N4O5S.CH4O3S/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;1-5(2,3)4/h4-12,22H,13-19,28H2,1-3H3,(H,29,33);1H3,(H,2,3,4)/t22-;/m1./s1

InChIKey

DUGMCDWNXXFHDE-VZYDHVRKSA-N

LogP

1.2693000000000028

Topological Polar Surface Area

176.41 Ų

Hydrogen Bond Donor/Acceptor

4 / 12

Complexity

1010

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • Ibutamoren-mesylate
  • MK-677
  • 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-methylpropanamide methanesulfonate
  • (R)-1'-(2-Methylalanyl-O-benzyl-D-seryl)-1-(Methylsulfonyl)-1,2-dihydrospiro[indole-3,4'-piperidine] Mesylate
  • Crescendo
  • IbutaMoren Mesylate(MK-677)
  • MK-667
  • N-[1(R)-1,2-Dihydro-1-methanesulfonylspiro-3H-indole-3,4′-piperidin)-1′-yl]carbonyl-2-(phenylmethoxy)-ethyl-2-amino-2-methylpropanamide methanesulfonate
  • IBUTAMORIN
  • (R)-2-Amino-N-(3-(benzyloxy)-1-(1-(methylsulfonyl)spiro[indoline-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl)-2-methylpropanamide methanesulfonate
  • 2-amino-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]propanamide,methanesulfonic acid
  • Ibutamoren mesylate
  • Ibutamoren-mesylate MK-677
  • MK 0677
  • MK 677
  • MK-677 (Ibutamoren)
  • MK-677（Ibutamoren）
  • Ibutamoren (Mesylate)
  • Ibutamoren mesilate
  • Ibutamoren mesylate (USAN)
  • MK-0677
  • UNII-R90JB6QJ2B
  • L-163191
  • Ibutamoren, MK-0677
  • MK-677,mk677,mk 677
  • Ibutamoren mesylate [USAN]
  • R90JB6QJ2B
  • MK677
  • L 163191
  • C27H36N4O5S.CH4O3S
  • MLS006010300

MDL Number

MFCD00942284

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] methanesulfonate (CAS: 159752-10-0)?
1'-(2-Methylalanyl-O-benzyl-D-seryl)-1-(methylsulfonyl)-1,2-dihydrospiro[indole-3,4'-piperidine] methanesulfonate is a crystalline compound with a molecular weight around 730 g/mol. It is poorly soluble in water but soluble in organic solvents such as DMSO and DMF. The compound shows moderate reactivity, particularly towards nucleophilic substitution reactions. It can be isolated as a dihydrate form with a melting point of 180-182°C.

How is 1'-(2-Methylalanyl-O-benzyl-D-seryl)-1-(methylsulfonyl)-1,2-dihydrospiro[indole-3,4'-piperidine] methanesulfonate (CAS: 159752-10-0) typically synthesized?
This compound can be synthesized by reacting benzyl esters of D-seryl chlorides with 2-methylalanyl-O-benzyl chloride in the presence of a catalytic amount of a base such as triethylamine. The reaction is typically carried out in an anhydrous organic solvent like DMF or DCM. The product is isolated by column chromatography, and the methanesulfonate ester is formed by treating the product with methanesulfonyl chloride in the presence of a base like sodium hydride.

What industries use 1'-(2-Methylalanyl-O-benzyl-D-seryl)-1-(methylsulfonyl)-1,2-dihydrospiro[indole-3,4'-piperidine] methanesulfonate (CAS: 159752-10-0)?
This compound is primarily used in the pharmaceutical industry for the development of novel drugs. It may also find applications in the polymer industry for the synthesis of advanced materials. Additionally, it could be used in the sensor industry for developing biosensors due to its chemical reactivity and structural complexity.

What precautions should be taken when handling 1'-(2-Methylalanyl-O-benzyl-D-seryl)-1-(methylsulfonyl)-1,2-dihydrospiro[indole-3,4'-piperidine] methanesulfonate (CAS: 159752-10-0)?
When handling this compound, it is essential to use personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation of vapors. Spills should be cleaned up with caution using appropriate absorbent materials. Always refer to the safety data sheet (SDS) for detailed handling instructions and emergency response procedures.

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1'-(2-Methylalanyl-O-benzyl-D-seryl)-1-(methylsulfonyl)-1,2-dihydrospiro[indole-3,4'-piperidine] methanesulfonate (1:1) — Hubei Chenghai Chemical Co., Ltd.

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