3-Pyridinylmethyl {4-[(2-aminophenyl)carbamoyl]benzyl}carbamate

Basic Information

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CAS Number

209783-80-2

Molecular Formula

C21H20N4O3

Molecular Weight

376.42 g/mol

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

Basic Physical Properties

Melting Point

159-160 ºC

Boiling Point

566.7°C at 760 mmHg

Solubility

DMSO: 38 mg/mL, soluble

SMILES

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C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3

InChI

InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)

InChIKey

INVTYAOGFAGBOE-UHFFFAOYSA-N

LogP

3.342500000000001

Topological Polar Surface Area

106.34 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

508

Safety Information

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Hazard Statement

H301 Toxic 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

H360 May damage fertility or the unborn child
Reproductive toxicity

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

pyridin-3-ylmethyl {4-[(2-aminophenyl)carbamoyl]benzyl}carbamate
NSC-756642
NCGC00165833-02
pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
Entinostat (MS-275;SNDX-275)
Carbamic acid, N-[[4-[[(2-aminophenyl)amino]carbonyl]phenyl]methyl]-, 3-pyridinylmethyl ester
Q1281020
N-(2-aminophenyl)-4-(N-(pyridin-3-ylmethoxycarbonyl)aminomethyl)benzamide
MS-275,Entinostat, SNDX-275, MS-27-275
BCP9000967
NS00068485
MS 27-275
MLS006010183
BAY86-5274
HMS3426G07
HMS3744O17
MS 275
ENTINOSTAT [INN]
Entinostat, free base
HY-12163
SNDX 275;3-pyridylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
HMS3648K12
pyridin-3-ylmethyl 4-(2-aminophenylcarbamoyl)benzylcarbamate
DB11841
MS-275-27
(pyridin-3-yl)methyl 4-(2-aminophenylcarbamoyl)benzylcarbamate
BRD-K77908580-001-04-7
BCPP000155
EX-A038
pyridin-3-ylmethyl4-((2-aminophenyl)carbamoyl)benzylcarbamate
209783-80-2

MDL Number

MFCD08272435

Customs Code

29333990

FAQ

What is 3-Pyridinylmethyl {4-[(2-aminophenyl)carbamoyl]benzyl}carbamate (CAS: 209783-80-2)?

3-Pyridinylmethyl {4-[(2-aminophenyl)carbamoyl]benzyl}carbamate (CAS: 209783-80-2) is a complex organic compound with a molecular structure that includes a pyridinylmethyl group and a carbamoylbenzyl group. It is a white or off-white solid with a characteristic odor. This compound is used in pharmaceutical research and development for its potential medicinal applications.

What are the main uses of 3-Pyridinylmethyl {4-[(2-aminophenyl)carbamoyl]benzyl}carbamate (CAS: 209783-80-2)?

3-Pyridinylmethyl {4-[(2-aminophenyl)carbamoyl]benzyl}carbamate (CAS: 209783-80-2) is primarily used in the pharmaceutical industry for the development of new drugs. It shows promise in treating various diseases, including inflammation and certain types of cancer. Additionally, it is used in chemical research for synthesizing other compounds.

Is 3-Pyridinylmethyl {4-[(2-aminophenyl)carbamoyl]benzyl}carbamate (CAS: 209783-80-2) safe?

3-Pyridinylmethyl {4-[(2-aminophenyl)carbamoyl]benzyl}carbamate (CAS: 209783-80-2) is generally considered safe for use in the laboratory and pharmaceutical setting when proper safety measures are followed. However, it is important to handle this compound with care due to its potential for skin and eye irritation. It should be stored in a cool, dry place away from direct sunlight and heat sources. Personal protective equipment, such as gloves and goggles, should be worn during handling.

How should 3-Pyridinylmethyl {4-[(2-aminophenyl)carbamoyl]benzyl}carbamate (CAS: 209783-80-2) be stored?

3-Pyridinylmethyl {4-[(2-aminophenyl)carbamoyl]benzyl}carbamate (CAS: 209783-80-2) should be stored in a tightly sealed container in a cool, dry place away from direct sunlight and heat sources. The optimal storage temperature is between 15-25°C (59-77°F), with relative humidity below 50%. It should be kept away from incompatible materials, such as strong acids and bases. Proper labeling is essential to ensure safe handling and storage.