Emvododstat
Also known as (4-chlorophenyl) (1S)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate, (4-chlorophenyl) (1S)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido(3,4-b)indole-2-carboxylate, 6-chloro-1,3,4,9-tetrahydro-1-(4-methoxyphenyl)-, 4-chlorophenyl ester, (1S)-2H-pyrido(3,4-b)indole-2-carboxylic acid
Key facts
What buyers check first
- CAS number
- 1256565-36-2
- Formula
- C25H20Cl2N2O3
- Molar mass
- 467.35 g/mol
- HS code
- 293399
- Category
- Screening compounds
What is Emvododstat?
Plain description, key identifiers and synonyms
Emvododstat is an orally bioavailable, small molecule inhibitor of vascular endothelial growth factor (VEGF) synthesis with potential antiangiogenesis and antineoplastic activities. Emvododstat targets post-transcriptionally by selectively binding the 5'- and 3'-untranslated regions (UTR) of VEGF messenger RNA (mRNA), thereby preventing translation of VEGF. This inhibits VEGF protein production and decreases its levels in the tumor and bloodstream. In turn, this may result in the inhibition of migration, proliferation and survival of endothelial cells, microvessel formation, the inhibition of tumor cell proliferation, and eventually the induction of tumor cell death. VEGFs are upregulated in a variety of tumor cell types and play key roles during angiogenesis. In addition, emvododstat may enhance the antitumor activity of other chemotherapeutic agents.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (4-chlorophenyl) (1S)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
- CAS number
- 1256565-36-2Other or deprecated CAS: 1219951-09-3
- Molecular formula
- C25H20Cl2N2O3
- UNII
- 053QD2I96A
- InChIKey
- SRSHBZRURUNOSM-DEOSSOPVSA-N
- InChI
- InChI=1S/C25H20Cl2N2O3/c1-31-18-7-2-15(3-8-18)24-23-20(21-14-17(27)6-11-22(21)28-23)12-13-29(24)25(30)32-19-9-4-16(26)5-10-19/h2-11,14,24,28H,12-13H2,1H3/t24-/m0/s1
- Canonical SMILES
- COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1
- Isomeric SMILES
- COC1=CC=C(C=C1)[C@H]2C3=C(CCN2C(=O)OC4=CC=C(C=C4)Cl)C5=C(N3)C=CC(=C5)Cl
Synonyms
- (4-chlorophenyl) (1S)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
- (4-chlorophenyl) (1S)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido(3,4-b)indole-2-carboxylate
- 6-chloro-1,3,4,9-tetrahydro-1-(4-methoxyphenyl)-, 4-chlorophenyl ester, (1S)-2H-pyrido(3,4-b)indole-2-carboxylic acid
- 4-Chlorophenyl (S)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carboxylate
- Emvododstat (USAN)
- PTC 299
- 2H-Pyrido(3,4-b)indole-2-carboxylic acid, 6-chloro-1,3,4,9-tetrahydro-1-(4-methoxyphenyl)-, 4-chlorophenyl ester, (1S)-
- (S)-6-Chloro-1-(4-methoxy-phenyl)-1,3,4,9-tetrahydro-b-carboline-2-carboxylic acid 4-chloro-phenyl ester
- 4-Chlorophenyl (1S)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydro-2H-pyrido(3,4-b)indole-2-carboxylate
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 467.35 g/molcalc.Computed value |
|---|---|
| Exact mass | 466.0851 Dacalc.Computed value |
| LogP (octanol/water) | 6.63calc.Computed value |
| Topological polar surface area | 54.56 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 3calc.Computed value |
| Heavy atoms | 32calc.Computed value |
| Rings | 5calc.Computed value |
| Aromatic rings | 4calc.Computed value |
| Fraction sp3 carbons | 0.16calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 1calc.Computed value |
| Lipinski rule of five | Passes (1 violation)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
![Murcko scaffold of this chemical, O=C(Oc1ccccc1)N1CCc2c([nH]c3ccccc23)C1c1ccccc1](/scaffold/ZVRDUQPSBQEGKM-UHFFFAOYSA-N/structure.svg)
O=C(Oc1ccccc1)N1CCc2c([nH]c3ccccc23)C1c1ccccc1
5 rings, 28 atoms.
1 other chemical share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Emvododstat suppliers
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Emvododstat price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Roles
- anticoronaviral agent
- antimicrobial agent
- antineoplastic agent
- antiviral agent
- pharmaceutical
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Emvododstat is traded under.
Heterocyclic compounds with nitrogen hetero-atom(s) only, other
- Slovenia31.7%
- Italy24.2%
- United States5.0%
* Partner reported figures, a lower bound.
The HS code shown for Emvododstat is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Stereoisomers and isotopic forms
Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)
![(4-Chlorophenyl) 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate chemical structure, C25H20Cl2N2O3, CAS 865678-67-7](/s/SRSHBZRURUNOSM-UHFFFAOYSA-N.svg)
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
![6-Chloro-N-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carboxamide chemical structure, C27H26ClN3O4, CAS 1031540-29-0](/s/ZXMDULRSHHXKIU-UHFFFAOYSA-N.svg)
![6-Chloro-N-(2-methoxyphenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carboxamide chemical structure, C26H24ClN3O3, CAS 865679-96-5](/s/ZVXJCRMFNNLDIB-UHFFFAOYSA-N.svg)
Same formula isomers
Different compounds that share this molecular formula
![[7,9-Dichloro-2-(4-methoxyphenyl)-1,10B-dihydropyrazolo[1,5-C][1,3]benzoxazin-5-yl](4-methylphenyl)methanone chemical structure, C25H20Cl2N2O3, CAS 303061-32-7](/s/ISMNVDQZCRUTBB-UHFFFAOYSA-N.svg)
![3-Chloro-N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]benzamide chemical structure, C25H20Cl2N2O3, CAS 313646-83-2](/s/UVIPLXMDKCRGQQ-UHFFFAOYSA-N.svg)
![(E)-2-Cyano-N-(3,5-dichlorophenyl)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide chemical structure, C25H20Cl2N2O3, CAS 380475-45-6](/s/JPOSBVSIEKYGDV-DJKKODMXSA-N.svg)
Frequently asked questions
Quick answers about Emvododstat, based on the data on this page
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Guides for buyers
Practical guides that help when you source, ship or handle Emvododstat
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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