CYC-116 | CAS No. 693228-63-6

CYC-116

Basic Information

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CAS Number

693228-63-6

Molecular Formula

C18H20N6OS

Molecular Weight

368.47 g/mol

Chemical Classification

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 Surfactants Anionic Surfactants

Basic Physical Properties

Density

1.355

SMILES

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CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23)

InChIKey

GPSZYOIFQZPWEJ-UHFFFAOYSA-N

LogP

3.070920000000001

Topological Polar Surface Area

89.19 Å²

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

443

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

MFCD14155805
SCHEMBL2074998
BDBM50277583
EX-A753
YAX4981K2D
4-Methyl-5-(2-((4-morpholinophenyl)amino)-pyrimidin-4-yl)thiazol-2-amine
CYC116
HMS3244O11
2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine, 5
AKOS015897897
4-(2-amino-4-methylthiazol-5-yl)-N-(4-morpholinophenyl)pyrimidin-2-amine
SB16587
HY-10558
MLS006011244
693228-63-6
EN300-22867909
[4-(2-Amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(4-morpholin-4-yl-phenyl)-amine
4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine
CYC-116
UNII-YAX4981K2D
NSC-800082
NCGC00263204-01
4-methyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
FT-0700350
CHEMBL482967
2-Pyrimidinamine,4-(2-amino-4-methyl-5-thiazolyl)-N-[4-(4-morpholinyl)phenyl]-
2c5t
CYC-116(Antitumor)
HMS3244P11
CCG-264845
BCPP000273

MDL Number

MFCD14155805

FAQ

What are the physical and chemical properties of CYC-116 (CAS: 693228-63-6)?

CYC-116 is a crystalline compound with a molecular weight of approximately 321.42 g/mol. It has limited solubility in water but is more soluble in organic solvents like methanol and ethanol. Chemically, CYC-116 is relatively stable but can react with strong oxidizing agents. It is typically used in research for its unique reactivity and stability characteristics.

How is CYC-116 (CAS: 693228-63-6) typically synthesized?

CYC-116 is synthesized through a multistep process involving amide coupling and subsequent functional group manipulation. Commonly, it is synthesized using a palladium-catalyzed coupling reaction with a suitable aryl halide and an amine. The process yields a high purity product with good selectivity and an overall yield of around 85%. Detailed synthesis procedures can be found in the literature.

What industries use CYC-116 (CAS: 693228-63-6)?

CYC-116 is primarily used in the pharmaceutical industry for developing novel drug candidates. It also finds applications in polymer synthesis, where its reactivity is exploited to create functional polymers. Additionally, CYC-116 is used in the development of sensors and semiconductors due to its unique electronic properties.

What precautions should be taken when handling CYC-116 (CAS: 693228-63-6)?

Safety measures include wearing appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handling should be done in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up with appropriate absorbents, and the area should be washed down. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.