セマピモド
Semapimod
基本情報
- CAS
352513-83-8- 標準SMILES
C/C(=N\N=C(N)N)c1cc(NC(=O)CCCCCCCCC(=O)Nc2cc(/C(C)=N/N=C(N)N)cc(/C(C)=N/N=C(N)N)c2)cc(/C(C)=N/N=C(N)N)c1- InChIKey
PWDYHMBTPGXCSN-VCBMUGGBSA-N- 分子式
- C34H52N18O2
- 平均分子量
- 744.9 g/mol
- 単同位体質量
- 744.45206297
概要
Semapimod has been used in trials studying the treatment of Crohn Disease.
名称と識別子
- 優先名称
- Semapimod
- IUPAC
- N,N'-bis[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide
- 現地名
- セマピモド
- 英語名
- Semapimod
- 分子式
- C34H52N18O2
- 分子量
- 744.9
名称と別名
Semapimod352513-83-8CNI-14939SGW2H1K8PCPSI-2364 FREE BASEAXD455CPSI 2364N,N'-Bis(3,5-bis(1-(carbamimidoylhydrazono)ethyl)phenyl)decanediamidesemapimodumN,N'-Bis{3,5-bis(1-(carbamimidoylhydrazono)ethyl)phenyl}decanediamideRefChem:182336CPSI2364
名称をさらに表示
N,N'-ビス({3,5-ビス[1-(カルバムイミドアミドイミノ)エチル]フェニル})デカンジアミドセマピモドN,N′-ビス[3,5-ビス[1-[2-(アミノイミノメチル)ヒドラゾノ]エチル]フェニル]デカンジアミドN,N′-ビス[3,5-ビス[1-(2-アミジノヒドラゾノ)エチル]フェニル]デカンジアミドCni 1493N,N'-Bis[3,5-bis[1-[(aminoiminomethyl)hydrazono]ethyl]phenyl]decanediamideDecanediamide, N1,N10-bis[3,5-bis[1-[2-(aminoiminomethyl)hydrazinylidene]ethyl]phenyl]-N,N'-bis[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-5-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide
N,N'-bis((3,5-bis((1E)-1-(carbamimidamidoimino)ethyl)phenyl))decanediamideSemapimod [INN]N,N'-bis[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamideN1,N10-Bis(3,5-bis(1-(2-carbamimidoylhydrazono)ethyl)phenyl)decanediamideN,n'-bis({3,5-bis[1-(carbamimidamidoimino)ethyl]phenyl})decanediamideUNII-9SGW2H1K8PAXD-455CHEMBL2107779
物性
構造計算による物性
- XLogP
- -0.2
- 極性表面積
- 365 Ų
- 水素結合供与体数
- 10
- 水素結合受容体数
- 10
- 回転可能結合数
- 19
- 重原子数
- 54
- 形式電荷
- 0
- 複雑度
- 1,290
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
物理化学的性質
- 比重(密度)
- 1.39 · 1.39
- 酸解離定数(Pka)
- 14.28 · 14.28±0.70(Predicted)
化学と産業
薬理情報
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging.
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