945128-26-7

中文名稱 CYM-5541

英文名稱 N,N-Dicyclohexyl-5-cyclopropyl-3-isoxazolecarboxamide

CAS 945128-26-7

分子式 C19H28N2O2

分子量 316.44

MOL 文件 945128-26-7.mol

更新日期 2026/06/02 12:03:27

945128-26-7 結(jié)構(gòu)式

基本信息物理化學(xué)性質(zhì) 安全數(shù)據(jù) 圖譜信息 CYM-5541價(jià)格(試劑級(jí)) 常見問題列表

基本信息

中文別名

化合物CYM 5541

英文別名

ML249
CYM5541
CYM-5541
CID-17253208
CYM 5541(ML-249)
CYM-5541
CYM 5541
ML-249
ML 249
ML249
N,N-Dicyclohexyl-5-cyclopropyl-3-isoxazolecarboxamide
3-Isoxazolecarboxamide, N,N-dicyclohexyl-5-cyclopropyl-
N,N-dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide
N,N-Dicyclohexyl(5-cyclopropylisoxazol-3-yl)-carboxamide

物理化學(xué)性質(zhì)

沸點(diǎn)503.1±38.0 °C(Predicted)

密度1.14±0.1 g/cm3(Predicted)

儲(chǔ)存條件2-8°C

溶解度DMSO：可溶5mg/mL，澄清（加熱）

酸度系數(shù)(pKa)-2.57±0.20(Predicted)

形態(tài)粉末

顏色白色至米色

穩(wěn)定性可在-20°下的DMSO或乙醇溶液保存長達(dá)1個(gè)月。

InChI1S/C19H28N2O2/c22-19(17-13-18(23-20-17)14-11-12-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h13-16H,1-12H2

InChIKeyNDKGACIWVAOUQH-UHFFFAOYSA-N

SMILESN(C4CCCCC4)(C3CCCCC3)C(=O)c1n[o]c(c1)C2CC2

安全數(shù)據(jù)

危險(xiǎn)性符號(hào)(GHS) 有害 (GHS07)

GHS07

警示詞警告

危險(xiǎn)性描述H302

防范說明P280-P305+P351+P338

危險(xiǎn)品標(biāo)志Xn

危險(xiǎn)類別碼22

WGK Germany3

存儲(chǔ)類別11 - Combustible Solids

危險(xiǎn)性類別Acute Tox. 4 Oral

圖譜信息

CYM-5541(945128-26-7)核磁圖(¹HNMR)

CYM-5541價(jià)格(試劑級(jí))

報(bào)價(jià)日期	產(chǎn)品編號(hào)	產(chǎn)品名稱	CAS號(hào)	包裝	價(jià)格
2026/06/05	HY-101419	CYM-5541	945128-26-7	1 mg	300元
2026/06/05	HY-101419	CYM-5541 CYM-5541	945128-26-7	5mg	720元
2026/06/05	HY-101419	CYM-5541 CYM-5541	945128-26-7	10mM * 1mLin DMSO	792元

常見問題列表

生物活性

CYM5541 (ML249)是一種選擇性的S1P3變構(gòu)受體激動(dòng)劑，EC50為72-132 nM。

靶點(diǎn)

Target	Value
S1P3 ()

體外研究

CYM-5541 is a full agonist, able to reach the maximum level of ERK phosphorylation that is observed with S1P. CYM-5541 has an EC ₅₀ of between 72 and 132 nM and exhibits exquisite selectivity over other S1P receptor subtypes: S1P1 EC ₅₀ >10 μM, S1P2 EC ₅₀ >50 μM, S1P4 EC ₅₀ >50 μM, and S1P5 EC ₅₀ >25 μM. CYM-5541 also shows selectivity over a large panel of protein targets, with no significant activities, in the Ricerca profiling panel of 55 GPCRs, ion channels, and transporters. CYM-5541 allowed us to identify an allosteric site where F263 is a key gate-keeper residue for its affinity and efficacy. The novel allosteric hydrophobic pocket may account for the S1P3 selectivity of CYM-5541.