6-Bromo-8-cyclopentyl-5-methyl-2-(5-piperizin-1-yl-pyridin-2-ylamino)-8H-pyrido(2,3-d)pyrimidin-7-one Hydrochloride
基本情報
- CAS
851067-56-6- 標準SMILES
Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)cn3)ncc12- InChIKey
DZCHDINWDGTTBZ-UHFFFAOYSA-N- 分子式
- C22H26BrN7O
- 平均分子量
- 484.4 g/mol
名称と識別子
- 優先名称
- 6-Bromo-8-cyclopentyl-5-methyl-2-(5-piperizin-1-yl-pyridin-2-ylamino)-8H-pyrido(2,3-d)pyrimidin-7-one Hydrochloride
- IUPAC
- 6-bromo-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
- 英語名
- 6-broMo-8-cyclopentyl-5-Methyl-2-(5-(piperazin-1-yl)pyridin-2-ylaMino)pyrido[2,3-d]pyriMidin-7(8H)-one
- 分子式
- C22H26BrN7O
- 分子量
- 484.39
名称と別名
6-Bromo-8-cyclopentyl-5-methyl-2-(5-piperizin-1-yl-pyridin-2-ylamino)-8H-pyrido(2,3-d)pyrimidin-7-one Hydrochloride6-Bromo-8-cyclopentyl-5-methyl-2-(5-piperizin-1-yl-pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one HydrochlorideRefChem:1073841851067-56-66-Desacetyl-6-Bromo Palbociclib6-Bromo-8-cyclopentyl-5-methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7(8H)-onePyrido-[2,3-d]-pyrimidin-7-one 416-bromo-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one6-Bromo-8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one6-bromo-8-cyclopentyl-5-methyl-2-(5-(piperazin-1-yl)pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-oneMGB9JX8TMPMFCD18207101
名称をさらに表示
Palbociclib CPalbociclib impurity BPOPalbociclib Impurity J HClPipemidic acid impurity BPOPALBOCICLIB IMPURITY F (OR) 6-DESACETYL-6- BROMO PALBOCICLIBPalbociclib Deboc Bromo Impurity / 6-Desacetyl-6-Bromo Palbociclib6-Bromo-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one6-Bromo-8-cyclopentyl-5-methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-pyrido[2,3-d]pyrimidin-7(8H)-one
Palbociclib Impurity 10Pyrido(2,3-d)pyrimidin-7(8H)-one, 6-bromo-8-cyclopentyl-5-methyl-2-((5-(1-piperazinyl)-2-pyridinyl)amino)-Palbociclib-013Pyrido[2,3-d]pyrimidin-7(8H)-one, 6-bromo-8-cyclopentyl-5-methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-UNII-MGB9JX8TMPC22H26BrN7OBDBM6307CHEMBL190804
データベース識別子
- CAS
851067-56-6- PubChem CID
- 5330284
- ChEMBL
CHEMBL190804- UNII
- MGB9JX8TMP
物性
構造計算による物性
- XLogP
- 2.8
- 極性表面積
- 86.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 7
- 回転可能結合数
- 4
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 691
物理化学的性質
- 沸点
- 682.2 · 682.2±65.0 °C(Predicted)
- 比重(密度)
- 1.495 · 1.495±0.06 g/cm3(Predicted)
- 貯蔵温度
- 2 · 2-8°C, protect from light
- 溶解性
- Aqueous Acid (Slightly), DMSO (Slightly, Heated), DMF (Slightly, Heated)
- 酸解離定数(Pka)
- 8.66 · 8.66±0.10(Predicted)
- 外見
- Solid
- 色
- Off-White to Yellow
- InChIKey
- DZCHDINWDGTTBZ-UHFFFAOYSA-N
- SMILES
- C1(NC2=NC=C(N3CCNCC3)C=C2)=NC=C2C(C)=C(Br)C(=O)N(C3CCCC3)C2=N1
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
安全データ
- 危険有害性情報
- コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H302
化学と産業
応用分野
使用6-Desacetyl-6-Bromo Palbociclib is an impurity of Palbociclib (P139900),(also known as compound number PD-0332991) is an experimental drug for the treatment of breast cancer being developed by Pfizer. It is a selective inhibitor of the cyclin-dependent kinases CDK4 and CDK6.Also, it is derived from 6-Bromo-2-chloro-8-cyclopentyl-5-methylpyrido-[2,3-d]pyrimidin-7(8H)-one (B682195), which is used to prepare pyridino[2,3-d]pyrimidin-7(8H)-one derivatives as CDK4 and/or CDK6 inhibitors useful in the treatment of diseases.
関連反応
3 件
化合物ノート
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