3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl)phenyl)-1,1-dimethylurea

Basic Information

View in Editor

CAS Number

942918-07-2

Molecular Formula

C30H33N7O

Molecular Weight

507.64 g/mol

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

Density

1.21

SMILES

View in Editor

CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C

InChI

InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)

InChIKey

QTBWCSQGBMPECM-UHFFFAOYSA-N

LogP

5.935400000000005

Topological Polar Surface Area

82.08 Å²

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

770

Safety Information

View Safety Information

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

N'-[4-[4-[2-[3-[(Dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-ethyl-1H-pyrazol-3-yl]phenyl]-N,N-dimethylurea
GSK1070916
3-[4-[4-[2-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-ethylpyrazol-3-yl]phenyl]-1,1-dimethylurea
GSK-1070916A
3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl)phenyl)-1,1-dimethylurea
4-[3-(4-N,N-dimethylcarbamylaminophenyl)-1-ethyl-1H-pyrazol-4-yl]-2-[3-(dimethylaminomethyl)phenyl]-1H-pyrrolo[2,3-b]-pyridine
N'-{4-[4-(2-{3-[(dimethylamino)methyl]phenyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl]phenyl}-N,N-dimethylurea
GSK 1070916
8VLB51V7HO
3-(4-(4-(2-(3-((dimethylami
GSK-1070916
N′-[4-[4-[2-[3-[(Dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-ethyl-1H-pyrazol-3-yl]phenyl]-N,N-dimethylurea (ACI)
942918-07-2
NSC777445
DB-079843
3-(4-(4-(2-(3-((DIMETHYLAMINO)METHYL)PHENYL)-1H-PYRROLO(2,3-B)PYRIDIN-4-YL)-1-ETHYL-1H-PYRAZOL-3-YL)PHENYL)-1,1-DIMETHYLUREA
UREA, N'-(4-(4-(2-(3-((DIMETHYLAMINO)METHYL)PHENYL)-1H-PYRROLO(2,3-B)PYRIDIN-4-YL)-1-ETHYL-1H-PYRAZOL-3-YL)PHENYL)-N,N-DIMETHYL-
UNII-8VLB51V7HO
BCP02610
NSC-777445
QTBWCSQGBMPECM-UHFFFAOYSA-N
SB14574
1-{4-[4-(2-{3-[(dimethylamino)methyl]phenyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethylpyrazol-3-yl]phenyl}-3,3-dimethylurea
GTPL8358
CCG-269759
Q27077863
N'-{4-[4-(2-{3-[(dimethylamino)methyl]phenyl}-1H-pyrrolo[2,3-b]pyridin-4-yl) 1-ethyl-1H-pyrazol-3-yl]phenyl}-N,N-dimethylurea
DTXSID70241403
NSC800108
NCGC00346648-07
NSC-800108

MDL Number

MFCD22420815

FAQ

What are the physical and chemical properties of 3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrrolo[1,2-a]pyrimidin-2(3H)-yl)phenyl)-1,1-dimethylurea (CAS: 942918-07-2)?

The compound has a crystalline form with a molecular weight of approximately 769.56 g/mol. It exhibits low solubility in water but good solubility in common organic solvents like DMSO and DMF. The compound is moderately reactive, especially under basic conditions. It is stable under normal storage conditions but may degrade under acidic conditions or prolonged exposure to light.

How is 3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrrolo[1,2-a]pyrimidin-2(3H)-yl)phenyl)-1,1-dimethylurea (CAS: 942918-07-2) typically synthesized?

The compound is synthesized through a multistep process involving the condensation of an ethyl pyrazole with a 2-(3-(dimethylamino)methyl)phenyl-1H-pyrrolo[2,3-b]pyridine derivative. This is followed by a coupling reaction with a 4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrrolo[1,2-a]pyrimidin-2(3H)-yl)benzaldehyde, using a palladium catalyst in the presence of a base. The final step involves the formation of the urea linkage.

What industries use 3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrrolo[1,2-a]pyrimidin-2(3H)-yl)phenyl)-1,1-dimethylurea (CAS: 942918-07-2)?

The compound is primarily used in the pharmaceutical industry for drug development, specifically in the synthesis of potential antiviral and anticancer agents. It may also find applications in the polymer industry for developing new functional materials and in the sensor and semiconductor industries for novel device fabrication.

What precautions should be taken when handling 3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrrolo[1,2-a]pyrimidin-2(3H)-yl)phenyl)-1,1-dimethylurea (CAS: 942918-07-2)?

When handling this compound, it is important to wear appropriate personal protective equipment (PPE), including gloves, lab coat, and safety goggles. The compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risk. Spills should be cleaned up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information. The compound is not considered a hazardous material under normal conditions, but care should be taken to avoid contact with eyes, skin, and inhalation of fumes.