CS 2100

Modify Date: 2024-02-03 10:55:16

CS 2100 Structure
CS 2100 structure
 Common Name CS 2100
CAS Number 913827-99-3 Molecular Weight 461.53
Density N/A Boiling Point N/A
Molecular Formula C25H23N3O4S Melting Point N/A
MSDS N/A Flash Point N/A

 Use of CS 2100


CS-2100 (Compound 10b) is a potent, selective, orally active and S1P3-sparing S1P1 agonist with an EC50 of 4.0 nM for human S1P1. CS-2100 shows in vivo immunosuppressive efficacy in rats with an ID50 (infective dose) of 0.407 mg/kg for HvGR[1].

 Names

Name 1-({4-Ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thieny l}methyl)-3-azetidinecarboxylic acid
Synonym More Synonyms

 CS 2100 Biological Activity

Description CS-2100 (Compound 10b) is a potent, selective, orally active and S1P3-sparing S1P1 agonist with an EC50 of 4.0 nM for human S1P1. CS-2100 shows in vivo immunosuppressive efficacy in rats with an ID50 (infective dose) of 0.407 mg/kg for HvGR[1].
Related Catalog
Target

EC50: 4.0 nM (human S1P1)[1]

References

[1]. Nakamura T, et al. Discovery of CS-2100, a potent, orally active and S1P3-sparing S1P1 agonist. Bioorg Med Chem Lett. 2012 Feb 15;22(4):1788-92.

 Chemical & Physical Properties

Molecular Formula C25H23N3O4S
Molecular Weight 461.53
Exact Mass 461.14100
PSA 116.93000
LogP 5.27410

 Synthetic Route

5-({[tert-butyl(dimethyl)silyl]oxy}methyl)-3-ethylthiophene-2-carboxaldehyde structure

5-({[tert-butyl...

CAS#:913828-81-6

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CS 2100 Structure

CS 2100

CAS#:913827-99-3

Literature: Nakamura, Tsuyoshi; Asano, Masayoshi; Sekiguchi, Yukiko; Mizuno, Yumiko; Tamaki, Kazuhiko; Nara, Futoshi; Kawase, Yumi; Yabe, Yoshiyuki; Nakai, Daisuke; Kamiyama, Emi; Urasaki-Kaneno, Yoko; Shimozato, Takaichi; Doi-Komuro, Hiromi; Kagari, Takashi; Tomisato, Wataru; Inoue, Ryotaku; Nagasaki, Miyuki; Yuita, Hiroshi; Oguchi-Oshima, Keiko; Kaneko, Reina; Nishi, Takahide European Journal of Medicinal Chemistry, 2012 , vol. 51, p. 92 - 98
5-(((tert-butyldimethylsilyl)oxy)methyl)-3-ethylthiophene-2-carbaldehyde oxime structure

5-(((tert-butyl...

CAS#:1028947-14-9

~%

CS 2100 Structure

CS 2100

CAS#:913827-99-3

Literature: Nakamura, Tsuyoshi; Asano, Masayoshi; Sekiguchi, Yukiko; Mizuno, Yumiko; Tamaki, Kazuhiko; Nara, Futoshi; Kawase, Yumi; Yabe, Yoshiyuki; Nakai, Daisuke; Kamiyama, Emi; Urasaki-Kaneno, Yoko; Shimozato, Takaichi; Doi-Komuro, Hiromi; Kagari, Takashi; Tomisato, Wataru; Inoue, Ryotaku; Nagasaki, Miyuki; Yuita, Hiroshi; Oguchi-Oshima, Keiko; Kaneko, Reina; Nishi, Takahide European Journal of Medicinal Chemistry, 2012 , vol. 51, p. 92 - 98
5-({[tert-butyl(dimethyl)silyl]oxy}methyl)-3-ethylthiophene-2-carbonitrile structure

5-({[tert-butyl...

CAS#:913828-82-7

~%

CS 2100 Structure

CS 2100

CAS#:913827-99-3

Literature: Nakamura, Tsuyoshi; Asano, Masayoshi; Sekiguchi, Yukiko; Mizuno, Yumiko; Tamaki, Kazuhiko; Nara, Futoshi; Kawase, Yumi; Yabe, Yoshiyuki; Nakai, Daisuke; Kamiyama, Emi; Urasaki-Kaneno, Yoko; Shimozato, Takaichi; Doi-Komuro, Hiromi; Kagari, Takashi; Tomisato, Wataru; Inoue, Ryotaku; Nagasaki, Miyuki; Yuita, Hiroshi; Oguchi-Oshima, Keiko; Kaneko, Reina; Nishi, Takahide European Journal of Medicinal Chemistry, 2012 , vol. 51, p. 92 - 98
5-({[tert-butyl(dimethyl)silyl]oxy}methyl)-3-ethyl-N'-hydroxythiophene-2-carboximidamide structure

5-({[tert-butyl...

CAS#:913828-83-8

~%

CS 2100 Structure

CS 2100

CAS#:913827-99-3

Literature: Nakamura, Tsuyoshi; Asano, Masayoshi; Sekiguchi, Yukiko; Mizuno, Yumiko; Tamaki, Kazuhiko; Nara, Futoshi; Kawase, Yumi; Yabe, Yoshiyuki; Nakai, Daisuke; Kamiyama, Emi; Urasaki-Kaneno, Yoko; Shimozato, Takaichi; Doi-Komuro, Hiromi; Kagari, Takashi; Tomisato, Wataru; Inoue, Ryotaku; Nagasaki, Miyuki; Yuita, Hiroshi; Oguchi-Oshima, Keiko; Kaneko, Reina; Nishi, Takahide European Journal of Medicinal Chemistry, 2012 , vol. 51, p. 92 - 98
tert-butyl[(4-ethyl-2-thienyl)methoxy]dimethylsilane structure

tert-butyl[(4-e...

CAS#:913828-80-5

~%

CS 2100 Structure

CS 2100

CAS#:913827-99-3

Literature: Nakamura, Tsuyoshi; Asano, Masayoshi; Sekiguchi, Yukiko; Mizuno, Yumiko; Tamaki, Kazuhiko; Nara, Futoshi; Kawase, Yumi; Yabe, Yoshiyuki; Nakai, Daisuke; Kamiyama, Emi; Urasaki-Kaneno, Yoko; Shimozato, Takaichi; Doi-Komuro, Hiromi; Kagari, Takashi; Tomisato, Wataru; Inoue, Ryotaku; Nagasaki, Miyuki; Yuita, Hiroshi; Oguchi-Oshima, Keiko; Kaneko, Reina; Nishi, Takahide European Journal of Medicinal Chemistry, 2012 , vol. 51, p. 92 - 98
(4-bromo-thiophene-2-ylmethoxy)-tert-butyl-dimethylsilane structure

(4-bromo-thioph...

CAS#:230623-72-0

~%

CS 2100 Structure

CS 2100

CAS#:913827-99-3

Literature: Nakamura, Tsuyoshi; Asano, Masayoshi; Sekiguchi, Yukiko; Mizuno, Yumiko; Tamaki, Kazuhiko; Nara, Futoshi; Kawase, Yumi; Yabe, Yoshiyuki; Nakai, Daisuke; Kamiyama, Emi; Urasaki-Kaneno, Yoko; Shimozato, Takaichi; Doi-Komuro, Hiromi; Kagari, Takashi; Tomisato, Wataru; Inoue, Ryotaku; Nagasaki, Miyuki; Yuita, Hiroshi; Oguchi-Oshima, Keiko; Kaneko, Reina; Nishi, Takahide European Journal of Medicinal Chemistry, 2012 , vol. 51, p. 92 - 98

 Synonyms

1-({4-[1-(3-oxo-3-phenyl-propyl)-1H-benzoimidazol-2-ylmethyl]-piperazin-1-yl}-acetyl)-pyrrolidine
1-({4-ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl}methyl)azetidine-3-carboxylic acid
Pyrrolidine,1-((4-((1-(3-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl)methyl)-1-piperazinyl)acetyl)
1-(2'-Benzoyleth-1'-yl)-2-(4''-pyrrolidinocarbonylmethylpiperazine-1''-ylmethyl)benzimidazole
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