6-[(2-{[4-(2,4-Dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyrimidinyl]amino}ethyl)amino]nicotinonitrile

Basic Information

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CAS Number

252917-06-9

Molecular Formula

C22H18Cl2N8

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

784.1±70.0°C at 760 mmHg

Flash Point

427.996 °C

Solubility

DMSO: soluble2mg/mL, clear (warmed)

SMILES

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CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N

InChI

InChI=1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32)

InChIKey

AQGNHMOJWBZFQQ-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

645

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

6-[(2-{[4-(2,4-dichlorophenyl)-5-(4-methylimidazol-2-yl)pyrimidin-2-yl]amino }ethyl)amino]pyridine-3-carbonitrile
CHIR-99021 (CT99021)
HY-10182
6-[(2-{[4-(2,4-dichlorophenyl)-5-(4-methylimidazol-2-yl)-pyrimidin-2-yl]amino}ethyl)amino]pyridine-3-carbonitrile
BRD-K16189898-001-10-2
[2-[[4-(2,4-Dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyrimidinyl]amino]ethyl]amino]-3-pyridinecarbonitrile
J-518185
Laduviglusib [USAN]
GSK-3 Inhibitor XVI
CHIR 99021
CHIR-99021,CT99021
CT99021;6-[2-[4-(2,4-Dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)pyrimidin-2-ylamino]ethylamino]pyridine-3-carbonitrile
NCGC00250379-01
Kinome_3785
3-PYRIDINECARBONITRILE, 6-[[2-[[4-(2,4-DICHLOROPHENYL)-5-(5-METHYL-1H-IMIDAZOL-2-YL)-2-PYRIMIDINYL]AMINO]ETHYL]AMINO]-
CHR00921
6-[(2-{[4-(2,4-dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino}ethyl)amino]pyridine-3-carbonitrile
CS-0615620
CS-0181
CHEBI:91091
Q27075965
AKOS026750421
6-[[2-[[4-(2,4-Dichlorophenyl)-5-(5 -methyl-1H-imidazol-2-yl)-2-pyrimidinyl]amino]ethyl]amino]-3-pyridinecarbonitrile
CHIR99021, >=98% (HPLC)
BDBM50325983
6-[(2-{[4-(2,4-dichlorophenyl)-5-(4-methylimidazol-2-yl)pyrimidin-2-yl]amino}ethyl)amino]pyridine-3-carbonitrile
6-[2-[[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrile
A25048
C22H18Cl2N8
6-{2-[4-(2,4-dichloro-phenyl)-5-(4-methyl-1h-imidazol-2-yl)-pyrimidin-2-ylamino]-ethylamino}-nicotinonitrile
252917-06-9

MDL Number

MFCD11846251

Customs Code

29335990

FAQ

What regulatory guidelines apply to 6-[(2-{[4-(2,4-Dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyrimidinyl]amino}ethyl)amino]nicotinonitrile (CAS: 252917-06-9)?

The compound is subject to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) regulations, REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) in the EU, and FDA/EPA registration requirements for specific uses. It is important to consult the current versions of these guidelines for detailed handling and safety information.

Are there alternatives to 6-[(2-{[4-(2,4-Dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyrimidinyl]amino}ethyl)amino]nicotinonitrile (CAS: 252917-06-9) in synthesis?

There are several alternatives that can be used in the synthesis of this compound, such as related analogs like 6-[(2-{[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyrimidinyl]amino}ethyl)amino]nicotinamide, or isomers with slight structural modifications. Common alternative reagents include 2,4-dichlorophenyl derivatives and 5-methyl-1H-imidazol-2-yl groups.

What is the market or research trend for 6-[(2-{[4-(2,4-Dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyrimidinyl]amino}ethyl)amino]nicotinonitrile (CAS: 252917-06-9)?

The market for this compound shows steady growth, driven by its applications in pharmaceutical research and development. Emerging research trends focus on its potential as a therapeutic agent, particularly in treating certain types of cancer. Additionally, there is increasing interest in its synthesis and use in novel drug discovery projects.

How should waste containing 6-[(2-{[4-(2,4-Dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyrimidinyl]amino}ethyl)amino]nicotinonitrile (CAS: 252917-06-9) be handled?

Waste containing this compound should be collected in appropriate containers and stored in a secure, well-ventilated area. For disposal, it is recommended to use professional waste disposal services that specialize in hazardous chemical waste. Proper incineration or chemical neutralization methods should be employed, followed by appropriate environmental monitoring to ensure compliance with local regulations and environmental protection standards.