Zavegepant
Also known as Vazegepant, N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide, BHV 3500
Key facts
What buyers check first
- CAS number
- 1337918-83-8
- Formula
- C36H46N8O3
- Molar mass
- 638.82 g/mol
- HS code
- 293359
- Category
- Pharmaceuticals and APIs
What is Zavegepant?
Plain description, key identifiers and synonyms
Zavegepant is a member of the class of ureas that is urea in which both amino groups are replaced by 4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidin-1-yl and {(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl}amino groups. It is a calcitonin gene-related peptide receptor antagonist whose hydrochloride salt has been approved by the FDA for the acute treatment of migraine. It has a role as a calcitonin gene-related peptide receptor antagonist. It is a quinolone, a member of piperidines, a member of indazoles, a N-acylpiperazine, a member of ureas and a piperidinecarboxamide. It is a conjugate base of a zavegepant(1+).
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide
- CAS number
- 1337918-83-8
- Molecular formula
- C36H46N8O3
- UNII
- ODU3ZAZ94J
- InChIKey
- JJVAPHYEOZSKJZ-JGCGQSQUSA-N
- InChI
- InChI=1S/C36H46N8O3/c1-24-19-25(20-28-23-37-40-33(24)28)21-32(35(46)43-17-15-42(16-18-43)29-9-11-41(2)12-10-29)39-36(47)44-13-7-26(8-14-44)30-22-27-5-3-4-6-31(27)38-34(30)45/h3-6,19-20,22-23,26,29,32H,7-18,21H2,1-2H3,(H,37,40)(H,38,45)(H,39,47)/t32-/m1/s1
- Canonical SMILES
- Cc1cc(CC(NC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCN(C3CCN(C)CC3)CC2)cc2cn[nH]c12
- Isomeric SMILES
- CC1=CC(=CC2=C1NN=C2)C[C@H](C(=O)N3CCN(CC3)C4CCN(CC4)C)NC(=O)N5CCC(CC5)C6=CC7=CC=CC=C7NC6=O
Synonyms
- Vazegepant
- N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide
- BHV 3500
- BMS 742413
- 4-(1,2-Dihydro-2-oxo-3-quinolinyl)-N-((1R)-1-((7-methyl-1H-indazol-5-yl)methyl)-2-(4-(1-methyl-4-piperidinyl)-1-piperazinyl)-2-oxoethyl)-1-piperidinecarboxamide
- N-((2R)-3-(7-methyl-1H-indazol-5-yl)-1-(4-(1-methylpiperidin-4-yl)piperazin-1-yl)-1-oxopropan-2-yl)-4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxamide
- N-((2R)-3-(7-methyl-1H-indazol-5-yl)-1-(4-(1-methylpiperidin-4-yl)piperazin-1-yl)-1-oxopropan-2-yl)-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide
- N-{(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl}-4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxamide
- (R)-N-(3-(7-methyl-1H-indazol-5-yl)-1-(4-(1-methylpiperidin-4-yl)piperazin-1-yl)-1-oxopropan-2-yl)-4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxamide
- Zavegepant (USAN)
- zavegepantum
- Zevagepant
- Vazegepant?
- WHO 11512
- N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]
- N-{(2R)-3-(7-Methyl-1H-indazol-5-yl)-1-[4-(1-methyl-4-piperidinyl)-1-piperazinyl]-1-oxo-2-propanyl}-4-(2-oxo-1,2-dihydro-3-quinolinyl)-1-piperidinecarboxamide
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 | 638.82 g/molcalc.Computed value |
|---|---|
| Exact mass | 638.3693 Dacalc.Computed value |
| LogP (octanol/water) | 3.45calc.Computed value |
| Topological polar surface area | 120.7 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 3calc.Computed value |
| Hydrogen bond acceptors | 6calc.Computed value |
| Rotatable bonds | 6calc.Computed value |
| Heavy atoms | 47calc.Computed value |
| Rings | 7calc.Computed value |
| Aromatic rings | 4calc.Computed value |
| Fraction sp3 carbons | 0.5calc.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
O=C(NC(Cc1ccc2[nH]ncc2c1)C(=O)N1CCN(C2CCNCC2)CC1)N1CCC(c2cc3ccccc3[nH]c2=O)CC1
7 rings, 45 atoms.
2 other chemicals 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.
Zavegepant suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- Spain, Montornรจs del Vallรจs ManufacturerUnclaimed profileZavegepantGrade, purity and minimum order on requestPrice on request
- Spain, Rubi ManufacturerUnclaimed profileZavegepantGrade, purity and minimum order on requestPrice on request
- China, Cangzhou ManufacturerUnclaimed profileZavegepantGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
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Zavegepant 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
Roles
- G-protein-coupled receptor antagonist
- antagonist
- anti-asthmatic agent
- antimicrobial agent
- antiviral agent
- calcitonin gene-related peptide receptor antagonist
Pharmacology
Zavegepant is a Calcitonin Gene-related Peptide Receptor Antagonist. The mechanism of action of zavegepant is as a Calcitonin Gene-related Peptide Receptor Antagonist.
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- Active ingredient in FDA approved drug labels
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Zavegepant is traded under.
Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other
- Ireland43.6%
- Switzerland * partner reported26.3%
- China7.9%
- Slovenia30.3%
- United States30.1%
- Germany15.3%
* Partner reported figures, a lower bound.
The HS code shown for Zavegepant is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Zavegepant, based on the data on this page
What is Zavegepant?
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What is the molecular formula and weight of Zavegepant?
What is Zavegepant used for?
Is Zavegepant hazardous?
What is the HS code of Zavegepant?
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Guides for buyers
Practical guides that help when you source, ship or handle Zavegepant
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.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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