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Chemistry

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Also known as: E-7386, 1799824-08-0, E7386, I0dx1fg55y, (6s,9as)-n-benzyl-8-[[6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyridin-2-yl]methyl]-6-[(2-fluoro-4-hydroxyphenyl)methyl]-4,7-dioxo-2-prop-2-enyl-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide, (6s,9as)-2-allyl-n-benzyl-8-((6-(3-(4-ethylpiperazin-1-yl)azetidin-1-yl)pyridin-2-yl)methyl)-6-(2-fluoro-4-hydroxybenzyl)-4,7-dioxohexahydro-2h-pyrazino(2,1-c)(1,2,4)triazine-1(6h)-carboxamide
Molecular Formula
C39H48FN9O4
Molecular Weight
725.9  g/mol
InChI Key
ZGNKNLOBYFTGRG-GIWKVKTRSA-N
FDA UNII
I0DX1FG55Y

E7386
CBP/beta-catenin Modulator E7386 is an orally bioavailable, specific inhibitor of the canonical Wnt/beta-catenin signaling pathway, with potential antineoplastic activity. Upon oral administration, CBP/beta-catenin modulator E7386 inhibits beta-catenin and prevents the interaction of beta-catenin with its transcriptional coactivator, CREB (cAMP response element-binding) binding protein (CBP). This prevents binding of beta-catenin/CBP to WRE (Wnt-responsive element), and inhibits the activation of transcription of a wide range of target genes of Wnt/beta-catenin signaling, thereby preventing gene expression of many Wnt-related, pro-survival proteins and suppressing tumor cell growth. The Wnt/beta-catenin signaling pathway regulates cell morphology, motility, and proliferation; aberrant regulation of this pathway leads to neoplastic proliferation. Beta-catenin is frequently mutated in various tumors.
1 2D Structure

E7386

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(6S,9aS)-N-benzyl-8-[[6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyridin-2-yl]methyl]-6-[(2-fluoro-4-hydroxyphenyl)methyl]-4,7-dioxo-2-prop-2-enyl-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
2.1.2 InChI
InChI=1S/C39H48FN9O4/c1-3-15-47-27-37(51)48-34(20-29-13-14-32(50)21-33(29)40)38(52)46(26-36(48)49(47)39(53)41-22-28-9-6-5-7-10-28)23-30-11-8-12-35(42-30)45-24-31(25-45)44-18-16-43(4-2)17-19-44/h3,5-14,21,31,34,36,50H,1,4,15-20,22-27H2,2H3,(H,41,53)/t34-,36-/m0/s1
2.1.3 InChI Key
ZGNKNLOBYFTGRG-GIWKVKTRSA-N
2.1.4 Canonical SMILES
CCN1CCN(CC1)C2CN(C2)C3=CC=CC(=N3)CN4CC5N(C(C4=O)CC6=C(C=C(C=C6)O)F)C(=O)CN(N5C(=O)NCC7=CC=CC=C7)CC=C
2.1.5 Isomeric SMILES
CCN1CCN(CC1)C2CN(C2)C3=CC=CC(=N3)CN4C[C@H]5N([C@H](C4=O)CC6=C(C=C(C=C6)O)F)C(=O)CN(N5C(=O)NCC7=CC=CC=C7)CC=C
2.2 Other Identifiers
2.2.1 UNII
I0DX1FG55Y
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (6s,9as)-n-benzyl-8-((6-(3-(4-ethylpiperazin-1-yl)azetidin-1-yl)pyridin-2-yl)methyl)-6-((2-fluoro-4-hydroxyphenyl)methyl)-4,7-dioxo-2-prop-2-enyl-3,6,9,9a-tetrahydropyrazino(2,1-c)(1,2,4)triazine-1-carboxamide

2. E-7386

3. E7386 Compound

2.3.2 Depositor-Supplied Synonyms

1. E-7386

2. 1799824-08-0

3. E7386

4. I0dx1fg55y

5. (6s,9as)-n-benzyl-8-[[6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyridin-2-yl]methyl]-6-[(2-fluoro-4-hydroxyphenyl)methyl]-4,7-dioxo-2-prop-2-enyl-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide

6. (6s,9as)-2-allyl-n-benzyl-8-((6-(3-(4-ethylpiperazin-1-yl)azetidin-1-yl)pyridin-2-yl)methyl)-6-(2-fluoro-4-hydroxybenzyl)-4,7-dioxohexahydro-2h-pyrazino(2,1-c)(1,2,4)triazine-1(6h)-carboxamide

7. (6s,9as)-8-((6-(3-(4-ethyl-1-piperazinyl)-1-azetidinyl)-2-pyridinyl)methyl)-6-((2-fluoro-4-hydroxyphenyl)methyl)hexahydro-4,7-dioxo-n-(phenylmethyl)-2-(2-propen-1-yl)-2h-pyrazino(2,1-c)(1,2,4)triazine-1(6h)-carboxamide

8. 2h-pyrazino(2,1-c)(1,2,4)triazine-1(6h)-carboxamide, 8-((6-(3-(4-ethyl-1-piperazinyl)-1-azetidinyl)-2-pyridinyl)methyl)-6-((2-fluoro-4-hydroxyphenyl)methyl)hexahydro-4,7-dioxo-n-(phenylmethyl)-2-(2-propen-1-yl)-, (6s,9as)-

9. (6s,9as)-2-allyl-n-benzyl-8-((6-(3-(4-ethylpiperazin-1-yl)azetidin-1-yl)pyridin-2-yl)methyl)-6-(2-fluoro-4-hydroxybenzyl)-4,7-dioxohexahydro-2h-pyrazino[2,1-c][1,2,4]triazine-1(6h)-carboxamide

10. Chembl4297491

11. Schembl16822549

12. Nsc820052

13. Nsc-820052

14. Hy-111386

15. Cs-0040308

16. (6s,9as)-2-allyl-n-benzyl-8-((6-(3-(4-ethylpiperazin-1-yl)azetidin-1-yl)pyridin-2-yl)methyl)-6-(2-fluoro-4-hydroxybenzyl)-4,7-dioxooctahydro-1h-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide

17. (6s,9as)-n-benzyl-8-((6-(3-(4-ethylpiperazin-1-yl)azetidin-1-yl)pyridin-2-yl)methyl)-6-((2-fluoro-4-hydroxyphenyl)methyl)-4,7-dioxo-2-(prop-2-en-1-yl)-octahydro-1h-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide

2.4 Create Date
2015-07-06
3 Chemical and Physical Properties
Molecular Weight 725.9 g/mol
Molecular Formula C39H48FN9O4
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass725.38132921 g/mol
Monoisotopic Mass725.38132921 g/mol
Topological Polar Surface Area119 Ų
Heavy Atom Count53
Formal Charge0
Complexity1280
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

ABOUT THIS PAGE

E7386 Manufacturers

A E7386 manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of E7386, including repackagers and relabelers. The FDA regulates E7386 manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. E7386 API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

E7386 Suppliers

A E7386 supplier is an individual or a company that provides E7386 active pharmaceutical ingredient (API) or E7386 finished formulations upon request. The E7386 suppliers may include E7386 API manufacturers, exporters, distributors and traders.

E7386 GMP

E7386 Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of E7386 GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right E7386 GMP manufacturer or E7386 GMP API supplier for your needs.

E7386 CoA

A E7386 CoA (Certificate of Analysis) is a formal document that attests to E7386's compliance with E7386 specifications and serves as a tool for batch-level quality control.

E7386 CoA mostly includes findings from lab analyses of a specific batch. For each E7386 CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

E7386 may be tested according to a variety of international standards, such as European Pharmacopoeia (E7386 EP), E7386 JP (Japanese Pharmacopeia) and the US Pharmacopoeia (E7386 USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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