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Indole-3-pyruvic acid

Indole-3-pyruvic acid structure

CAS No:
392-12-1
Formula:
C11H9NO3
Chemical Name:
Indole-3-pyruvic acid
Synonyms:
1H-Indole-3-propanoic acid,α-oxo-;Indole-3-pyruvic acid;Indolepyruvic acid;α-Oxo-1H-indole-3-propanoic acid;3-Indolylpyruvic acid;Indolyl-3-pyruvate;β-Indolylpyruvic acid;β-Indolepyruvic acid;3-Indolylpyroracemic acid;1H-Indole-3-pyruvic acid;Indole-3-pyruvate;3-(3-Indolyl)pyruvic acid;3-(3-Indolyl)-2-oxopropanoic acid;NSC 88874;POL 240;3-(1H-Indol-3-yl)-2-oxopropanoic acid;91364-04-4
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

light beige to light brown powder

3-(indol-3-yl)pyruvic acid is a 2-oxo monocarboxylic acid that is pyruvic acid substituted by a 1H-indol-3-yl group at position 3. It has been found in Lycopersicon esculentum It has a role as a Saccharomyces cerevisiae metabolite and a plant metabolite. It is a 2-oxo monocarboxylic acid and an indol-3-yl carboxylic acid. It derives from a pyruvic acid. It is a conjugate acid of a 3-(indol-3-yl)pyruvate.

Indole-3-pyruvic acid Basic Attributes

Molecular Weight：

203.194

Exact Mass：

203.19

EC Number：

206-874-1

UNII：

4QM0LT13A8

NSC Number：

88874

DSSTox ID：

DTXSID3042053

HScode：

2918300090

Characteristics

PSA：

70.16000

XLogP3：

0.46

Appearance：

off white crystals

Density：

1.4±0.1 g/cm3

Melting Point：

190-208 °C

Boiling Point：

445.2±28.0 °C at 760 mmHg

Flash Point：

223.0±24.0 °C

Refractive Index：

1.685

Storage Conditions：

2-8ºC

Collision Cross Section：

138.82 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|137.6 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|137.8 Å² [M-H]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36-S24/25

RTECS Number：

NM1880000

Marks：

Xi:Irritant;

Stability/Shelf Life：

Stable under normal temperatures and pressures. Air sensitive Light sensitive.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

Drug Information

MeSH：

Drugs used to prevent SEIZURES or reduce their severity. (See all compounds classified as Anticonvulsants.)|Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. ADRENERGIC BETA-ANTAGONISTS are commonly used in the symptomatic treatment of anxiety but are not included here. (See all compounds classified as Anti-Anxiety Agents.)|Substances that eliminate free radicals. Among other effects, they protect PANCREATIC ISLETS against damage by CYTOKINES and prevent myocardial and pulmonary REPERFUSION INJURY. (See all compounds classified as Free Radical Scavengers.)

MeSH Entry Terms：

indol-3-yl pyruvic acid

Computed Properties

Molecular Weight:203.19
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:203.058243149
Monoisotopic Mass:203.058243149
Topological Polar Surface Area:70.2
Heavy Atom Count:15
Complexity:277
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes