首页   400-620-6333
为了更好地浏览阿拉丁的产品，请在使用“QQ浏览器”或“360浏览器”时切换到极速模式。查看明细
  • 登录
  • 注册
  • 英文站
切换导航
我的购物车
搜索
搜索444
高级搜索
菜单
登录
྾

辛波莫德(BAF312), 1- 磷酸鞘氨醇受体 Edg-1 激动剂

S1P 受体激动剂
有货

库存信息

关闭

库存信息

关闭

库存信息

关闭

库存信息

关闭

库存信息

关闭
货号 (SKU) 包装规格 是否现货 价格 数量
S413720-2mg
 2mg 现货 Stock Image
S413720-5mg
 5mg 期货 Stock Image
S413720-10mg
 10mg 现货 Stock Image
S413720-50mg
 50mg 现货 Stock Image
S413720-100mg
 100mg 期货 Stock Image
大包装询价 添加到收藏夹 比较  SDS中文版  DATASHEET
查看相关系列
GPCR/G Protein (3178) LPL Receptor (117) S1P1 receptor Agonist (32) S1P3 receptor Agonist (14) S1P4 receptor Agonist (18) S1P5 receptor Agonist (18)
main product photo

基本描述

英文别名 3-Azetidinecarboxylic acid, 1-[[4-[(1E)-1-[[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]imino]ethyl]-2-ethylphenyl]methyl]- | (Z)-4-Cyano-5-((3,5-dichloropyridin-4-yl)thio)-N-(4-(methylsulfonyl)phenyl)thiophene-2-carbimidic acid | BAF-312(SiponiMod) |
规格或纯度 Moligand™, ≥98%
英文名称 Siponimod (BAF312)
生化机理 BAF312 (Siponimod) 是新一代 S1P 受体激动剂，对 S1P1 和 S1P5 受体具有选择性，EC50 为 0.39 nM 和 0.98 nM，对 S1P2、S1P3 和 S1P4 受体的选择性大于 1000 倍。第 3 阶段
储存温度 -20°C储存,充氩
运输条件 超低温冰袋运输
作用类型 激动剂
作用机制 1- 磷酸鞘氨醇受体 Edg-1 激动剂
产品介绍


Information

Siponimod (BAF312) BAF312 (Siponimod) is a next-generation S1P receptor agonist, selective for S1P1 and S1P5 receptors with EC50 of 0.39 nM and 0.98 nM, exhibits >1000-fold selectivity over S1P2, S1P3 and S1P4 receptors. Phase 3.


Targets

S1P1 receptor ; S1P5 receptor 0.39 nM(EC50); 0.98 nM(EC50)


In vitro

BAF312 (Siponimod) is a potent and selective S1P receptor agonist, with EC50 of 0.39 nM and 0.98 nM for S1P1 and S1P5receptors, exhibits >1000-fold selectivity over S1P2, S1P3 and S1P4 receptors. BAF312 (1 h at 1 μM) promotes prominent internalization of S1P1 receptors by 91%.


In vivo

BAF312 effectively suppresses encephalomyelitis (EAE) in rats by internalizing S1P1 receptors, rendering them insensitive to the egress signal from lymph nodes. BAF312 significantly reduces clinical scores when dosed prophylactically or therapeutically in mice at 0.3 mg/kg.


Cell Research(from reference)

Cell lines：CHO 

Concentrations：~1 μM 

Incubation Time：1 h 

AI解读

产品属性

ALogP 3.834
Rotatable Bond 10

关联靶点（人）

S1PR5 Tclin 鞘氨醇 1-磷酸受体 5(Sphingosine 1-phosphate receptor 5) (2 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
S1PR4 Tclin 鞘氨醇 1-磷酸受体 4(Sphingosine 1-phosphate receptor 4) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
S1PR1 Tclin 鞘氨醇 1-磷酸受体 1(Sphingosine 1-phosphate receptor 1) (2 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
S1PR3 Tclin 鞘氨醇 1-磷酸受体 3(Sphingosine 1-phosphate receptor 3) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
KCNH2 Tclin HERG (29587 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
S1PR4 Tclin Sphingosine 1-phosphate receptor Edg-6 (1041 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
S1PR3 Tclin Sphingosine 1-phosphate receptor Edg-3 (2543 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
S1PR1 Tclin Sphingosine 1-phosphate receptor Edg-1 (5806 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
S1PR5 Tclin Sphingosine 1-phosphate receptor Edg-8 (813 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Homo sapiens (32628 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Caco-2 (12174 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

关联靶点（其它种属）

Hdac6 Histone deacetylase 6 (222 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rhesus monkey (3147 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasma (328 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Heart (171 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SARS-CoV-2 (38078 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

作用机制

作用机制 Action Type target ID Target Name Target Type Target Organism Binding Site Name 参考文献

名称和识别符

分子类型 小分子
IUPAC Name 1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidine-3-carboxylic acid
INCHI InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+
InChi Key KIHYPELVXPAIDH-HNSNBQBZSA-N
Canonical SMILES CCC1=C(C=CC(=C1)C(=NOCC2=CC(=C(C=C2)C3CCCCC3)C(F)(F)F)C)CN4CC(C4)C(=O)O
Isomeric SMILES CCC1=C(C=CC(=C1)/C(=N/OCC2=CC(=C(C=C2)C3CCCCC3)C(F)(F)F)/C)CN4CC(C4)C(=O)O
PubChem CID 44599207
分子量 516.6

化学和物理性质

溶解性 Solubility (25°C) In vitro DMSO: 100 mg/mL warmed with 50ºC Water: bath (193.57 mM); Ethanol: 44 mg/mL warmed with 50ºC Water: bath (85.17 mM); Water: Insoluble;
敏感性 易吸潮
DMSO(mg / mL) Max Solubility 100
DMSO(mM) Max Solubility 193.5733643
Water(mg / mL) Max Solubility ＜1
熔点 154 - 157°C
分子量 516.600 g/mol
XLogP3 4.800
氢键供体数Hydrogen Bond Donor Count 1
氢键受体数Hydrogen Bond Acceptor Count 8
可旋转键计数Rotatable Bond Count 9
精确质量Exact Mass 516.26 Da
单同位素质量Monoisotopic Mass 516.26 Da
拓扑极表面积Topological Polar Surface Area 62.100 Ų
重原子数Heavy Atom Count 37
形式电荷Formal Charge 0
复杂度Complexity 777.000
同位素原子数Isotope Atom Count 0
定义的原子立体中心计数Defined Atom Stereocenter Count 0
未定义的原子立体中心计数Undefined Atom Stereocenter Count 0
定义的键立体中心计数Defined Bond Stereocenter Count 1
未定义的键立体中心计数Undefined Bond Stereocenter Count 0
所有立体化学键的总数The total count of all stereochemical bonds 1
共价键合单元计数Covalently-Bonded Unit Count 1

技术规格说明书

 技术规格说明书

质检证书（CoA,COO,BSE/TSE 和分析图谱)

C of A & Other Certificates(BSE/TSE, COO):
输入批号以搜索分析图谱:

通过匹配包装上的批号来查找并下载产品的 COA，每批产品都进行了严格的验证，您可放心使用！

找到3个结果

批号(Lot Number) 证书类型 日期 货号
G2228168 分析证书 25-05-09 S413720
G2228171 分析证书 25-05-09 S413720
G2228172 分析证书 25-05-09 S413720

参考文献

1. Gergely P, Nuesslein-Hildesheim B, Guerini D, Brinkmann V, Traebert M, Bruns C, Pan S, Gray NS, Hinterding K, Cooke NG et al..  (2012)  The selective sphingosine 1-phosphate receptor modulator BAF312 redirects lymphocyte distribution and has species-specific effects on heart rate..  Br J Pharmacol,  167  (5): (1035-47).  [PMID:22646698] [10.1021/op500134e]
2. Lewis ND, Haxhinasto SA, Anderson SM, Stefanopoulos DE, Fogal SE, Adusumalli P, Desai SN, Patnaude LA, Lukas SM, Ryan KR et al..  (2013)  Circulating monocytes are reduced by sphingosine-1-phosphate receptor modulators independently of S1P3..  J Immunol,  190  (7): (3533-40).  [PMID:23436932] [10.1021/op500134e]
3. O'Sullivan C, Schubart A, Mir AK, Dev KK.  (2016)  The dual S1PR1/S1PR5 drug BAF312 (Siponimod) attenuates demyelination in organotypic slice cultures..  J Neuroinflammation,  13  (13): (31).  [PMID:26856814] [10.1021/op500134e]
4. Pan S, Gray NS, Gao W, Mi Y, Fan Y, Wang X, Tuntland T, Che J, Lefebvre S, Chen Y et al..  (2013)  Discovery of BAF312 (Siponimod), a Potent and Selective S1P Receptor Modulator..  ACS Med Chem Lett,  4  (3): (333-7).  [PMID:24900670] [10.1021/op500134e]
5. Subei AM, Cohen JA.  (2015)  Sphingosine 1-phosphate receptor modulators in multiple sclerosis..  CNS Drugs,  29  (7): (565-75).  [PMID:26239599] [10.1021/op500134e]
6. Gentile A, Musella A, Bullitta S, Fresegna D, De Vito F, Fantozzi R, Piras E, Gargano F, Borsellino G, Battistini L et al..  (2016)  Siponimod (BAF312) prevents synaptic neurodegeneration in experimental multiple sclerosis..  J Neuroinflammation,  13  (1): (207).  [PMID:27566665] [10.1021/op500134e]
7. Kappos L, Bar-Or A, Cree BAC, Fox RJ, Giovannoni G, Gold R, Vermersch P, Arnold DL, Arnould S, Scherz T et al..  (2018)  Siponimod versus placebo in secondary progressive multiple sclerosis (EXPAND): a double-blind, randomised, phase 3 study..  Lancet,  391  (10127): (1263-1273).  [PMID:29576505] [10.1021/op500134e]

溶液计算器

上海阿拉丁生化科技股份有限公司
© 2016 ALADDIN-E.COM . 版权所有,未经授权禁止拷贝本站资料,如有违反,将追究法律责任

本网站销售的所有产品仅用于工业应用或者科学研究等非医疗目的,不可用于人类或动物的临床诊断或者治疗,非药用,非食用。

上海工商 危险品化学品经营许可证（带存储）营业执照(三证合一)