N-((3R,4R)-1-benzyl-4-Methylpiperidin-3-yl)-N-Methyl-7-tosyl-7H-pyrrolo[2,3-d]pyriMidin-4-aMine（CAS番号：923036-30-0）

N-((3R,4R)-1-benzyl-4-Methylpiperidin-3-yl)-N-Methyl-7-tosyl-7H-pyrrolo[2,3-d]pyriMidin-4-aMine

基本情報

編集器で閲覧

CAS番号

923036-30-0

分子式

C27H31N5O2S

分子量

489.65 g/mol

化学分類

基礎化学原料有機化学品カルボン酸類

基礎化学原料有機化学品複素環化合物

医薬化学品医薬中間体複素環中間体

精密化学品染料および顔料有機染料

精密化学品界面活性剤アニオン性界面活性剤

実験室化学品研究用化学品生化学試薬

基本的な物理特性

融点

180-183℃

SMILES

編集器で閲覧

CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3S(=O)(=O)C4=CC=C(C=C4)C)CC5=CC=CC=C5

InChI

InChI=1S/C27H31N5O2S/c1-20-9-11-23(12-10-20)35(33,34)32-16-14-24-26(28-19-29-27(24)32)30(3)25-18-31(15-13-21(25)2)17-22-7-5-4-6-8-22/h4-12,14,16,19,21,25H,13,15,17-18H2,1-3H3/t21-,25+/m1/s1

InChIKey

GWMBPMUFLFJILW-BWKNWUBXSA-N

LogP

4.323520000000004

トポロジカル極性表面積

71.33000000000001 Å²

水素結合ドナー/アクセプター

0 / 7

複雑度

790

安全情報

安全情報を表示

危険性の表示

H302 飲み込むと有害
急性毒性（経口）

H315 皮膚刺激
皮膚腐食性/刺激性

H319 強い眼刺激
眼に対する重篤な損傷性/眼刺激性

H335 呼吸器への刺激のおそれ
特定標的臓器毒性（単回ばく露）；気道刺激性

同義語と引用データ

英語

7H-Pyrrolo[2,3-d]pyrimidin-4-amine, N-methyl-N-[(3R,4R)-4-methyl-1-(phenylmethyl)-3-piperidinyl]-7-[(4-met hylphenyl)sulfonyl]-
N-((3R,4R)-1-Benzyl-4-methylpiperidin-3-yl)-N-methyl-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, N-methyl-N-[(3R,4R)-4-methyl-1-(phenylmethyl)-3-piperidinyl]-7-[(4-met hylphenyl)sulfonyl
7H-Pyrrolo[2,3-d]pyrimidin-4-amine,N-methyl-N-[(3R,4R)-4-methyl-1-(phenylmethyl)-3-piperidinyl]-7-[(4-methylphenyl)sulfonyl]-
7H-Pyrrolo[2,3-d]pyriMidin-4-aMine, N-Methyl-N-[(3R,4R)-4-Methyl-1-(phenylMethyl)-3-piperidinyl]-7-[(4-Met hylphenyl)sulfonyl]-
Tofacitinib Impurity 13
GWMBPMUFLFJILW-UHFFFAOYSA-N
N-((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-N-methyl-7-tosyl- 7H-pyrrolo[2,3-d]pyrimidin-4-amine
N-Methyl-N-[(3R,4R)-4-methyl-1-(phenylmethyl)-3-piperidinyl]-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
BCP21110
AK544656
N-(1-Benzyl-4-methylpiperidin-3-yl)-N-methyl-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, N-methyl-N-[(3R,4R)-4-methyl-1-(phenylmethyl)-3
N-(1-Benzyl-4-methylpiperidin-3-yl)-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-ami
N-(1-Benzyl-4-methylpiperidin-3-yl)-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine
N-Methyl-N-[(3R,4R)-4-methyl-1-(phenylmethyl)-3-piperidinyl]-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (ACI)
N-[(3R,4R)-1-benzyl-4-methyl-3-piperidyl]-N-methyl-7-(p-tolylsulfonyl)pyrrolo[2,3-d]pyrimidin-4-amine
N-((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-N-methyl-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
AKOS030632762
[(3R,4R)-1-benzyl-4-methyl-piperidin-3-yl]-methyl-[7-(4-methyl-benzenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amine
2268033-54-9
C27H31N5O2S
CS-M2654
DS-19344
Rel-N-((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-N-methyl-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
923036-30-0
MFCD28167902
YLB03630
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, N-methyl-N-[(3R,4R)-4-methyl-1-(phenylmethyl)-3-piperidinyl]-7-[(4-methylphenyl)sulfonyl]-
YWT8L388ED
N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine