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N-{trans-4-[4-(Cyclopropylmethyl)-1-piperazinyl]cyclohexyl}-4-{[(7R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-2-pteridinyl]amino}-3-methoxybenzamide | CAS No. 755038-65-4

N-{trans-4-[4-(Cyclopropylmethyl)-1-piperazinyl]cyclohexyl}-4-{[(7R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-2-pteridinyl]amino}-3-methoxybenzamide

Basic Information

Chemical_Structure_Of
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CAS Number

755038-65-4

Molecular Formula

C34H50N8O3

Molecular Weight

618.83 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Ethers
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

1.26

SMILES

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CCC1C(=O)N(C2=CN=C(N=C2N1C(C)C)NC3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N5CCN(CC5)CC6CC6)OC)C

InChI

InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25-,26-,28-/m1/s1

InChIKey

SXNJFOWDRLKDSF-STROYTFGSA-N

LogP

4.267200000000003

Topological Polar Surface Area

106.17 Ų

Hydrogen Bond Donor/Acceptor

2 / 11

Complexity

996

Safety Information

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GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • N-((trans)-4-(4-(cyclopropylmethyl)piperazin-1-yl)cyclohexyl)-4-((R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-ylamino)-3-methoxybenzamide
  • NSC-800965
  • SCHEMBL738946
  • UNII-6EM57086EA
  • BI 6727
  • Volasertib (USAN)
  • BI6727,Volasertib
  • Q7939986
  • BCP9000403
  • NCGC00263087-12
  • NS00073642
  • BI-6727
  • N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-4-[[(7R)-7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxybenzamide
  • IBI
  • CCG-264952
  • EX-A1364
  • NSC757149
  • BI6727
  • NCGC00263087-02
  • GTPL7947
  • BENZAMIDE, N-[TRANS-4-[4-(CYCLOPROPYLMETHYL)-1-PIPERAZINYL]CYCLOHEXYL]-4-[[(7R)-7-ETHYL-5,6,7,8-TETRAHYDRO-5-METHYL-8-(1-METHYLETHYL)-6-OXO-2-PTERIDINYL]AMINO]-3-METHOXY-
  • 755038-65-4
  • CHEMBL1233528
  • Volasertib(BI6727)
  • VOLASERTIB [INN]
  • DTXSID801099395
  • HY-12137
  • Bi6727(volasertib)
  • N-[cis-4-[4-(Cyclopropylmethyl)-1-piperazinyl]cyclohexyl]-4-[[(7R)-7-ethyl-5,6,7,8-tetrahydro-5-methyl-8-(1-methylethyl)-6-oxo-2-pteridinyl]amino]-3-methoxybenzamide
  • C34H50N8O3
  • AC-32844

MDL Number

MFCD20926414

FAQ

What are the physical and chemical properties of N-{trans-4-[4-(Cyclopropylmethyl)-1-piperazinyl]cyclohexyl}-4-{[(7R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-2-pteridinyl]amino}-3-methoxybenzamide (CAS: 755038-65-4)?
This compound is a solid with a crystalline form. Its molecular weight is approximately 747.9 g/mol. It has low solubility in water but is more soluble in organic solvents like dimethylformamide (DMF) and dimethyl sulfoxide (DMSO). The compound is reactive, particularly towards nucleophiles, and shows weak basicity due to the piperazine group and pteridine ring system.

How is N-{trans-4-[4-(Cyclopropylmethyl)-1-piperazinyl]cyclohexyl}-4-{[(7R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-2-pteridinyl]amino}-3-methoxybenzamide (CAS: 755038-65-4) typically synthesized?
The compound is synthesized through multistep reactions involving cyclization of piperazinyl and pteridinyl groups. Common synthetic routes include amidation of an intermediate piperazine ring with a pteridinyl derivative. The reaction typically requires a base such as triethylamine and is carried out in a suitable organic solvent. The yield can range from 50-70% depending on the purification steps.

What industries use N-{trans-4-[4-(Cyclopropylmethyl)-1-piperazinyl]cyclohexyl}-4-{[(7R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-2-pteridinyl]amino}-3-methoxybenzamide (CAS: 755038-65-4)?
This compound is primarily used in the pharmaceutical industry for its potential as a drug candidate. It may also find applications in the development of novel sensors and as a research tool in biochemical studies. Its specialized structure makes it suitable for targeted drug delivery systems and as a probe for studying receptor interactions.

What precautions should be taken when handling N-{trans-4-[4-(Cyclopropylmethyl)-1-piperazinyl]cyclohexyl}-4-{[(7R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-2-pteridinyl]amino}-3-methoxybenzamide (CAS: 755038-65-4)?
Handle the compound with care in a well-ventilated area, preferably under a fume hood. Wear appropriate personal protective equipment (PPE) including gloves, lab coat, and safety glasses. Avoid skin contact and inhalation. Spills should be cleaned up using absorbent material and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.

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Supplier Information

Shanghai Mendsuan Chemical Co., Ltd.

CAS Number: 755038-65-4

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N-{trans-4-[4-(Cyclopropylmethyl)-1-piperazinyl]cyclohexyl}-4-{[(7R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-2-pteridinyl]amino}-3-methoxybenzamide — MedChemExpress LLC

MedChemExpress LLC

CAS Number: 755038-65-4

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N-{trans-4-[4-(Cyclopropylmethyl)-1-piperazinyl]cyclohexyl}-4-{[(7R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-2-pteridinyl]amino}-3-methoxybenzamide — Shanghai SameSharp Biotechnology Co., Ltd.

Shanghai SameSharp Biotechnology Co., Ltd.

CAS Number: 755038-65-4

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Shanghai Tengzhun BioScience Co., Ltd.

CAS Number: 755038-65-4

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N-{trans-4-[4-(Cyclopropylmethyl)-1-piperazinyl]cyclohexyl}-4-{[(7R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-2-pteridinyl]amino}-3-methoxybenzamide — ShangHaiChuangSai Technology Co Ltd

ShangHaiChuangSai Technology Co Ltd

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Shanghai Huicheng Biotechnology Co., Ltd.

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Shanghai Tengbo Medicine Technology Co., Ltd.

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N-{trans-4-[4-(Cyclopropylmethyl)-1-piperazinyl]cyclohexyl}-4-{[(7R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-2-pteridinyl]amino}-3-methoxybenzamide — Shanghai Jixiang Biotechnology Co., Ltd.

Shanghai Jixiang Biotechnology Co., Ltd.

CAS Number: 755038-65-4

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N-{trans-4-[4-(Cyclopropylmethyl)-1-piperazinyl]cyclohexyl}-4-{[(7R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-2-pteridinyl]amino}-3-methoxybenzamide — ShangHaiYiJiShengWuKeJiYouXianGongSiXiaoShouBu

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