Login

(2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name) | CAS No. 87679-71-8

(2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name)

Basic Information

Chemical_Structure_Of
View in Editor

CAS Number

87679-71-8

Molecular Formula

C22H30N2O5

Molecular Weight

420.51 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
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

Melting Point

132-134°C

SMILES

View in Editor

C[C@@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1.O

InChI

InChI=1S/C22H30N2O5/c1-14(23-17(21(26)27)12-11-15-7-3-2-4-8-15)20(25)24-18-10-6-5-9-16(18)13-19(24)22(28)29/h2-4,7-8,14,16-19,23H,5-6,9-13H2,1H3,(H,26,27)(H,28,29)/t14-,16+,17-,18-,19-/m0/s1

InChIKey

AHYHTSYNOHNUSH-HXFGRODQSA-N

LogP

1.4701

Topological Polar Surface Area

138.44 Ų

Hydrogen Bond Donor/Acceptor

5 / 8

Synonyms & References

English

  • Trandolaprilat
  • (2S,3aR,7aS)-1-((S)-N-((S)-1-Carboxy-3-phenylpropyl)alanyl)hexahydro-2-indolinecarboxylic acid
  • (2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
  • Trandolaprilat Monohydrate
  • Trandolaprilate
  • Trandolaprilate [INN-French]
  • Trandolaprilatum
  • Trandolaprilatum [INN-Latin]
  • UNII-RR6866VL0O
  • (2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-Carboxy-3-phenylpropyl]amino]-1-oxopropyl]octahydro 1H-indole-2-carboxylic acid
  • Trandolapril diacid
  • (2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-Carboxy-3-phenylpropyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic acid (ACI)
  • 1H-Indole-2-carboxylic acid, 1-[2-[(1-carboxy-3-phenylpropyl)amino]-1-oxopropyl]octahydro-, [2S-[1[R*(R*)],2α,3aα,7aβ]]- (ZCI)
  • RU 44403
  • (2S,3aR,7aS)-1-(((S)-1-Carboxy-3-phenylpropyl)-L-alanyl)octahydro-1H-indole-2-carboxylic acid

MDL Number

MFCD09842610

Customs Code

29339900

FAQ

What are the physical and chemical properties of (2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (CAS: 87679-71-8)?
This compound exists as a crystalline solid with a molecular weight of approximately 448.44 g/mol. It has a pKa of around 7.5. The compound is slightly soluble in water and has good solubility in polar solvents such as methanol and DMSO. It exhibits moderate reactivity towards nucleophiles and has a high affinity for binding to specific receptors, making it interesting for potential pharmaceutical applications.

How is (2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (CAS: 87679-71-8) typically synthesized?
This compound is typically synthesized via a multi-step process involving amidation and cyclization reactions. The initial step involves the condensation of a carboxylic acid with an amine to form an amide. Subsequent steps involve the cyclization of the intermediate amide to form the final indole derivative. The reaction is catalyzed by common reagents such as HOBt and DCC, and the overall yield is around 60-70%.

What industries use (2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (CAS: 87679-71-8)?
This compound is primarily used in the pharmaceutical industry for developing potential therapeutics targeting certain receptor sites. It may also find applications in the production of certain polymers and sensors due to its unique chemical structure and reactivity. In the semiconductor industry, it could be used as a starting material for synthesizing other compounds with specific electronic properties.

What precautions should be taken when handling (2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (CAS: 87679-71-8)?
When handling this compound, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. All operations should be conducted in a well-ventilated area, preferably under a fume hood. Spills should be immediately cleaned up using appropriate absorbent materials. Refer to the Safety Data Sheet (SDS) for detailed information on safe handling and emergency procedures. The compound should be stored in a cool, dry place away from direct sunlight and flammable materials.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...

Supplier Information

Jintan Mousheng Auxiliary Factory

CAS Number: 87679-71-8

View Details

Wuhan Qirui Pharmaceutical Co., Ltd.

CAS Number: 87679-71-8

View Details

ShenZhenShiRuiJiTe Biotechnology Co Ltd

CAS Number: 87679-71-8

View Details
(2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name) — HePeng （ ShangHai ） Biotechnology Co Ltd

HePeng （ ShangHai ） Biotechnology Co Ltd

CAS Number: 87679-71-8

View Details
(2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name) — Shanghai SameSharp Biotechnology Co., Ltd.

Shanghai SameSharp Biotechnology Co., Ltd.

CAS Number: 87679-71-8

View Details
(2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name) — ShenZhenAiTaHuaXue Co Ltd

ShenZhenAiTaHuaXue Co Ltd

CAS Number: 87679-71-8

View Details
(2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name) — Shanghai Yuyeh Biotechnology Co., Ltd.

Shanghai Yuyeh Biotechnology Co., Ltd.

CAS Number: 87679-71-8

View Details

Shanghai Hansi Chemical Co., Ltd.

CAS Number: 87679-71-8

View Details

ASIA TALENT CHEMICAL LIMITED

CAS Number: 87679-71-8

View Details

Shanghai Aladdin Bio-Technologies Co., Ltd.

CAS Number: 87679-71-8

View Details

Chongqing Fufeng Medicine Co., Ltd.

CAS Number: 87679-71-8

View Details
(2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name) — Shanghai Jixiang Biotechnology Co., Ltd.

Shanghai Jixiang Biotechnology Co., Ltd.

CAS Number: 87679-71-8

View Details
(2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name) — Hubei Yangxin Pharmaceutical Technology Co., Ltd.

Hubei Yangxin Pharmaceutical Technology Co., Ltd.

CAS Number: 87679-71-8

View Details

Shanghai Yuansi Biotechnology Co., Ltd.

CAS Number: 87679-71-8

View Details

Changzhou Xianglong Pharmaceutical Technology Co., Ltd.

CAS Number: 87679-71-8

View Details

This website uses cookies to ensure basic functionality and enhance your experience. We use:

  • Essential cookies: Required for core site features (authentication, security). These cannot be disabled.
  • Analytics cookies: Help us understand site usage to improve our service.

You can change your preferences at any time in our Privacy Settings. See our Privacy Policy for more details.