CAS 280578-49-6|(1S,3S,7S,10R,11S,12S,16R)-3-[(1E)-2-[2-(Aminomethyl)-4-thiazolyl]-1-methylet

Introduction：Basic information about CAS 280578-49-6|(1S,3S,7S,10R,11S,12S,16R)-3-[(1E)-2-[2-(Aminomethyl)-4-thiazolyl]-1-methylet, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	(1S,3S,7S,10R,11S,12S,16R)-3-[(1E)-2-[2-(Aminomethyl)-4-thiazolyl]-1-methylethenyl]-7,11-dihydroxy-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
CAS Number	280578-49-6	Molecular Weight	522.69700
Density	1.16	Boiling Point	/
Molecular Formula	C₂₇H₄₂N₂O₆S	Melting Point	/
MSDS	/	Flash Point	/

Names

Name	(1S,3S,7S,10R,11S,12S,16R)-3-[(E)-1-[2-(aminomethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-7,11-dihydroxy-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
Synonym	More Synonyms

BiologicalActivity

Description	BMS 310705 (21-Aminoepothilone B) is an analog of Epothilone B (HY-17029), targeting to malignancies such as ovarian, renal, bladder, and lung carcinoma. BMS 310705 induces significant apoptosis via mitochondrial-mediated pathway[1].
Related Catalog	Signaling Pathways >>Apoptosis >>ApoptosisResearch Areas >>Cancer
In Vitro	BMS 310705 (0.01-0.5 μM; 1 h) 诱导 OC-2 细胞凋亡[1]。 BMS 310705 (-0.5 μM; 1 h) 增加 caspase-9/-3 的活性，并导致细胞色素 c 释放[1]。 Apoptosis Analysis[1] Cell Line: OC-2 cells Concentration: 0.01 μM, 0.025 μM, 0.05 μM, and 0.5 μM Incubation Time: 1 hour; reincubation in drug-free media at 24-, 48-, 72-, and 96-h intervals Result: Induced maximal cell apoptosis at 0.05 μM, and exhibited time-dependent manner.
References	[1]. Uyar D, et al. Apoptotic pathways of epothilone BMS 310705. Gynecol Oncol. 2003 Oct;91(1):173-8.

Chemical & Physical Properties

Density	1.16
Molecular Formula	C₂₇H₄₂N₂O₆S
Molecular Weight	522.69700
Exact Mass	522.27600
PSA	163.51000
LogP	4.32810
InChIKey	PFJFPBDHCFMQPN-RGJAOAFDSA-N
SMILES	CC(=Cc1csc(CN)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1

Synonyms

4,17-Dioxabicyclo(14.1.0)heptadecane-5,9-dione,3-((1E)-2-(2-(aminomethyl)-4-thiazolyl)-1-methylethenyl)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-,(1S,3S,7S,10R,11S,12S,16R)

(1S,3S(E),7S,10R,11S,12S,16R)-3-[2-(2-aminomethyl-thiazol-4-yl)-1-methyl-vinyl]-7,11-dihydroxy-8,8,10,12,16-pentamethyl-4,17-dioxa-bicyclo[14.1.0]heptadecane-5,9-dione

21-aminoepothilone B

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