3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-d]pyrimidin-4-one

• 常用名: 3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-d]pyrimidin-4-one
• 英文名: 3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-d]pyrimidin-4-one
• CAS号: 40106-31-8
• 分子量: 220.29100
• 密度: 1.51g/cm3
• 沸点: 491.9ºC at 760 mmHg
• 分子式: C₁₁H₁₂N₂OS
• 熔点: N/A
• 闪点: 251.3ºC

名称

本表展示该化学物质的中文名称、英文系统名、各类中文与英文别名信息。

• 英文名: 3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-d]pyrimidin-4-one

物理化学性质

本表包含该物质理化参数，如熔点、沸点、密度、溶解度、旋光性等理化指标，无数据项标记为N/A。

• 密度: 1.51g/cm3
• 沸点: 491.9ºC at 760 mmHg
• 分子式: C₁₁H₁₂N₂OS
• 分子量: 220.29100
• 闪点: 251.3ºC
• 精确质量: 220.06700
• PSA: 74.25000
• LogP: 2.66580
• InChIKey: SMKVVKXYWCYSDN-UHFFFAOYSA-N
• SMILES: O=c1[nH]cnc2sc3c(c12)CCCCC3
• 折射率: 1.769

靶点实验

查看更多实验

本表记录该化合物靶点、体外体内实验、生物测定实验相关实验数据。

实验名称：Primary cell-based high-throughput screening assay for identification of compounds th... 来源：Johns Hopkins Ion Channel Center 靶标：regulator of G-protein signaling 4 isoform 2 [Homo sapiens] External Id：JHICC_RGS_Act_HTS

实验名称：Luminescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：mu-type opioid receptor isoform MOR-1 [Homo sapiens] External Id：OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

实验名称：QFRET-based biochemical primary high throughput screening assay to identify exosite i... 来源：The Scripps Research Institute Molecular Screening Center 靶标：disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens] External Id：ADAM17_INH_QFRET_1536_1X%INH PRUN

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_AG_FLUO8_1536_1X%ACT PRUN

实验名称：uHTS identification of small molecule activators of the adaptive arm of the Unfolded ... 来源：Burnham Center for Chemical Genomics 靶标：N/A External Id：BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay

实验名称：High throughput fluorescence intensity-based biochemical assay to screen for small mo... 来源：University of Pittsburgh Molecular Library Screening Center 靶标：furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens] External Id：MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.

实验名称：Fluorescence polarization to screen for inhibitor that competite the binding of FadD2... 来源：Broad Institute 靶标：FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE) External Id：2147-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect... 来源：Broad Institute 靶标：N/A External Id：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity

实验名称：Counterscreen for inhibitors of the Steroid Receptor Coactivator 1 (SRC1; NCOA1): Lum... 来源：The Scripps Research Institute Molecular Screening Center 靶标：transactivating tegument protein VP16 [Human herpesvirus 1] External Id：VP16_INH_LUMI_1536_3X%INH CSRUN for SRC1

实验名称：Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste... 来源：Broad Institute 靶标：N/A External Id：7124-01_Inhibitor_SinglePoint_HTS_Activity

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英文别名

本表罗列该化合物全部英文别名、系统命名、CAS别名等英文名称集合。

• 1,2-Dihydro-1-oxo-cyclohepta(b)thieno(2,3-d)pyrimidin
• 1,2-dihydro-1-oxo-cyclohepta(b)thieno[2,3-d]pyrimidine
• 6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
• 3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
• 1,5,6,7,8,9-Hexahydro-4H-cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one
• 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one,1,5,6,7,8,9-hexahydro
• 3,5,6,7,8,9-hexahydrocyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
• 6,7,8,96,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(3H)-one-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(3H)-one

常见问题

本部分为该化合物相关常见问答，包含基础参数、性状、储存条件等高频咨询问题与对应答案。

Q: 40106-31-8的极性表面积PSA是多少？

A: 40106-31-8极性表面积PSA为74.25000。

Q: 40106-31-8的下游产品有哪些？

A: 40106-31-8相关下游产品（CAS）：40106-58-9;40106-59-0。

Q: 40106-31-8的中文名称是什么？

A: 40106-31-8的中文名称为40106-31-8。

Q: 40106-31-8的SMILES表达式是什么？

A: 40106-31-8SMILES表达式为O=c1[nH]cnc2sc3c(c12)CCCCC3。

Q: 40106-31-8的LogP（油水分配系数）是多少？

A: 40106-31-8LogP（油水分配系数）为2.66580。

Q: 40106-31-8的分子量是多少？

A: 40106-31-8分子量为220.29100。

Q: 40106-31-8的上游原料有哪些？

A: 40106-31-8相关上游原料（CAS）：40106-13-6;77287-34-4;64-18-6;23917-22-8;40106-58-9;502-42-1;40106-12-5;122-51-0。

Q: 40106-31-8的英文名称是什么？

A: 40106-31-8英文名称为3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-d]pyrimidin-4-one。

Q: 40106-31-8的InChIKey是什么？

A: 40106-31-8InChIKey为SMKVVKXYWCYSDN-UHFFFAOYSA-N。

Q: 40106-31-8的沸点是多少？

A: 40106-31-8沸点为491.9ºC at 760 mmHg。