2-氨基-2-(羟基甲基)-4-(4-辛基苯基)丁基磷酸二氢酯 | 402615-91-2
中文名称:
2-氨基-2-(羟基甲基)-4-(4-辛基苯基)丁基磷酸二氢酯
英文名称:
rac FTY720 Phosphate
CAS No.:
402615-91-2
分子式:
C1 9 H3 4 NO5 P
分子量:
387.45100
名称和标识符
InChIKey
LRFKWQGGENFBFO-UHFFFAOYSA-N
Inchi
InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)
SMILES
CCCCCCCCC1=CC=C(C=C1)CCC(CO)(COP(=O)(O)O)N
别名信息
- 中文别名 -
2-氨基-2-(羟基甲基)-4-(4-辛基苯基)丁基磷酸二氢酯
FTY 720 磷酸酯
- 英文别名 -
racFTY720 Phosphate
FTY720 Phosphate
(D)-fructose
1,3,4,5,6-pentahydroxyl-2-hexanone
2-amino-2-[2-(4-octylphenyl)ethyl]-1,3-propanediol mono(dihydrogenphosphate) ester
fingolimod phosphate
fructose powder
Fructosteril
Fruit sugar
Frutabs
FTY720-phosphate
keto D-fructose
laevoral
laevosan
levugen
S)-2-amino-2-hydroxymethyl-4-(4-octyl-phenyl)-butyl] ester
2-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propanediol 1-(dihydrogen phosphate)
FTY 720P
FTY-P
rac FTY720 Phosphate
物化性质
实验特性
LogP
4.02160
PSA
122.82000
熔点
122-124°C
溶解度
几乎不溶 (0.081 g/L) (25 ºC),
密度
1.172±0.06 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量
387.21700
氢键供体数量
4
氢键受体数量
6
可旋转化学键数量
14
重原子数量
26
相关文献
1.
Benzoyl methyl phosphate as an efficient reagent for the selective monobenzoylation of N-Bz-FTY720
Hidemasa Hikawa,Maiko Hamada,Yuusaku Yokoyama,Isao Azumaya RSC Adv. 2014 4 23131
2.
Tandem oxidative radical fragmentation–rearrangement of 2-amino-1,3-benzylidene acetals: a short entry to densely functionalised fully differentiated oxazolidinones
James McNulty,Janice Calzavara RSC Adv. 2013 3 6771
3.
Identification of potent tricyclic prodrug S1P1 receptor modulators
David Marcoux,Hai-Yun Xiao,T. G. Murali Dhar,Jenny Xie,Lois D. Lehman-McKeeman,Dauh-Rurng Wu,Marta Dabros,Xiaoxia Yang,Tracy L. Taylor,Xia D. Zhou,Elizabeth M. Heimrich,Rochelle Thomas,Kim W. McIntyre,Hong Shi,Paul C. Levesque,Huadong Sun,Zheng Yang,Anthony M. Marino,Georgia Cornelius,Celia J. D'Arienzo,Anuradha Gupta,Bala Pragalathan,Richard Rampulla,Arvind Mathur,Ding Ren Shen,Mary Ellen Cvijic,Luisa Salter-Cid,Louis J. Lombardo,Percy H. Carter,Alaric J. Dyckman Med. Chem. Commun. 2017 8 725
4.
Enantioselective total synthesis of the highly selective sphingosine-1-receptor VPC01091 by the Heck desymmetrization of a non-activated cyclopentene-fused spiro-pyrrolidinone
Ismat Ullah Khan,Shivashankar Kattela,Abbas Hassan,Carlos Roque Duarte Correia Org. Biomol. Chem. 2016 14 9476