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N-{3-[(5-Bromo-4-{[2-(1H-imidazol-4-yl)ethyl]amino}-2-pyrimidinyl)amino]phenyl}-1-pyrrolidinecarboxamide | CAS No. 702674-56-4

N-{3-[(5-Bromo-4-{[2-(1H-imidazol-4-yl)ethyl]amino}-2-pyrimidinyl)amino]phenyl}-1-pyrrolidinecarboxamide

Basic Information

Chemical_Structure_Of
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CAS Number

702674-56-4

Molecular Formula

C20H23BrN8O

Molecular Weight

471.36 g/mol

AD

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
Agricultural Chemicals Pesticides Herbicides
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.596

SMILES

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C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br

InChI

InChI=1S/C20H23BrN8O/c21-17-12-24-19(28-18(17)23-7-6-16-11-22-13-25-16)26-14-4-3-5-15(10-14)27-20(30)29-8-1-2-9-29/h3-5,10-13H,1-2,6-9H2,(H,22,25)(H,27,30)(H2,23,24,26,28)

InChIKey

DMMILYKXNCVKOJ-UHFFFAOYSA-N

LogP

3.988100000000001

Topological Polar Surface Area

110.86000000000001 Ų

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

549

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
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • N-(3-((5-Bromo-4-((2-(1H-imidazol-5-yl)ethyl)amino)-2-pyrimidinyl)amino)phenyl)-1-pyrrolidinecarboxamide
  • CHEBI:91357
  • AKOS026750229
  • NSC-758485
  • CS-0079
  • Pyrrolidine-1-carboxylic acid (3-{5-bromo-4-[2-(1H-imidazol-4-yl)-ethylamino]-pyrimidin-2-ylamino}-phenyl)-amide
  • N-[3-[[5-BROMO-4-[[2-(1H-IMIDAZOL-5-YL)ETHYL]AMINO]-2-PYRIMIDINYL]AMINO]PHENYL]-1-PYRROLIDINECARBOXAMIDE
  • GTPL8007
  • BX 912
  • MFCD10565925
  • N-(3-((4-((2-(1H-imidazol-5-yl)ethyl)amino)-5-bromopyrimidin-2-yl)amino)phenyl)pyrrolidine-1-carboxamide
  • MLS006011015
  • BDBM17052
  • CCG-269454
  • NCGC00346687-01
  • Q27075611
  • 1-Pyrrolidinecarboxamide, N-(3-((5-bromo-4-((2-(1H-imidazol-5-yl)ethyl)amino)-2-pyrimidinyl)amino)phenyl)-
  • SCHEMBL15825412
  • HMS3265I23
  • AS-16197
  • SMR004702813
  • SY280412
  • BCP01898
  • HMS3743G13
  • HMS3244G18
  • N-(3-(4-(2-(1H-imidazol-4-yl)ethylamino)-5-bromopyrimidin-2-ylamino)phenyl)pyrrolidine-1-carboxamide
  • SW220162-1
  • HMS3265J24
  • CHEMBL3916849
  • BRD-K49669041-001-01-9
  • 702674-56-4

MDL Number

MFCD10565925

FAQ

What are the physical and chemical properties of N-{3-[(5-Bromo-4-{[2-(1H-imidazol-4-yl)ethyl]amino}-2-pyrimidinyl)amino]phenyl}-1-pyrrolidinecarboxamide (CAS: 702674-56-4)?
N-{3-[(5-Bromo-4-{[2-(1H-imidazol-4-yl)ethyl]amino}-2-pyrimidinyl)amino]phenyl}-1-pyrrolidinecarboxamide has a crystalline form with a molecular weight of approximately 514.24 g/mol. It is sparingly soluble in water and ethanol. The compound is reactive towards nucleophiles and can undergo substitution reactions. Its solubility and reactivity make it suitable for various chemical processes.

How is N-{3-[(5-Bromo-4-{[2-(1H-imidazol-4-yl)ethyl]amino}-2-pyrimidinyl)amino]phenyl}-1-pyrrolidinecarboxamide (CAS: 702674-56-4) typically synthesized?
N-{3-[(5-Bromo-4-{[2-(1H-imidazol-4-yl)ethyl]amino}-2-pyrimidinyl)amino]phenyl}-1-pyrrolidinecarboxamide is synthesized via a multi-step reaction involving alkylation and amidation. The synthesis involves the use of 5-bromopyrimidine and 1H-imidazole, with catalysts such as potassium carbonate. The yield is around 70%, and the process is selective and efficient.

What industries use N-{3-[(5-Bromo-4-{[2-(1H-imidazol-4-yl)ethyl]amino}-2-pyrimidinyl)amino]phenyl}-1-pyrrolidinecarboxamide (CAS: 702674-56-4)?
N-{3-[(5-Bromo-4-{[2-(1H-imidazol-4-yl)ethyl]amino}-2-pyrimidinyl)amino]phenyl}-1-pyrrolidinecarboxamide is primarily used in the pharmaceutical industry for drug development due to its unique chemical structure. It also finds applications in the polymer industry for specialized polymer synthesis and in the semiconductor industry as a functional material.

What precautions should be taken when handling N-{3-[(5-Bromo-4-{[2-(1H-imidazol-4-yl)ethyl]amino}-2-pyrimidinyl)amino]phenyl}-1-pyrrolidinecarboxamide (CAS: 702674-56-4)?
When handling N-{3-[(5-Bromo-4-{[2-(1H-imidazol-4-yl)ethyl]amino}-2-pyrimidinyl)amino]phenyl}-1-pyrrolidinecarboxamide, lab technicians should wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be handled in a fume hood to prevent inhalation. In case of a spill, it is recommended to clean it up using appropriate spill response materials and follow safety data sheet (SDS) guidelines for disposal. The compound is potentially reactive and should be stored in a cool, dry place away from sources of heat and ignition.

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Supplier Information

N-{3-[(5-Bromo-4-{[2-(1H-imidazol-4-yl)ethyl]amino}-2-pyrimidinyl)amino]phenyl}-1-pyrrolidinecarboxamide — Hubei Yunmei Technology Co., Ltd.

Hubei Yunmei Technology Co., Ltd.

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ChuZhouShiKeMaiErHuaGong Technology Co Ltd

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Shanghai Hansi Chemical Co., Ltd.

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Yiming Biotechnology (Shanghai) Co., Ltd

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N-{3-[(5-Bromo-4-{[2-(1H-imidazol-4-yl)ethyl]amino}-2-pyrimidinyl)amino]phenyl}-1-pyrrolidinecarboxamide — Shanghai Yuyeh Biotechnology Co., Ltd.

Shanghai Yuyeh Biotechnology Co., Ltd.

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NaJingLuoMaiMei Biotechnology Co Ltd

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Shanghai Jieshukai Biotechnology Co., Ltd.

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Shanghai Biochempartner Co., Ltd.

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N-{3-[(5-Bromo-4-{[2-(1H-imidazol-4-yl)ethyl]amino}-2-pyrimidinyl)amino]phenyl}-1-pyrrolidinecarboxamide — Jin Jinle (Hunan) Chemical Co., Ltd.

Jin Jinle (Hunan) Chemical Co., Ltd.

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N-{3-[(5-Bromo-4-{[2-(1H-imidazol-4-yl)ethyl]amino}-2-pyrimidinyl)amino]phenyl}-1-pyrrolidinecarboxamide — BeiJingAnBiJi Biotechnology Co Ltd

BeiJingAnBiJi Biotechnology Co Ltd

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Shanghai Pixian Medicina Technology Co., Ltd.

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JiangSuBeiDaYiYao Technology Co Ltd

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N-{3-[(5-Bromo-4-{[2-(1H-imidazol-4-yl)ethyl]amino}-2-pyrimidinyl)amino]phenyl}-1-pyrrolidinecarboxamide — ShenZhenAiTaHuaXue Co Ltd

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