CompoundList
Sign in
Heterocyclic building blocks

AV-412

Also known as AV 412, MP 412, mp-412 Ditosylate

CAS 451493-31-5Formula C41H44ClFN6O7S2Molar mass 851.42 g/mol
1 supplier listed
Get quotes See the supplier
AV-412 chemical structure, C41H44ClFN6O7S2, CAS 451493-31-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
451493-31-5
Formula
C41H44ClFN6O7S2
Molar mass
851.42 g/mol
HS code
293359
Category
Heterocyclic building blocks

What is AV-412?

Plain description, key identifiers and synonyms

EGFR/HER2 Inhibitor AV-412 is a second-generation, orally bioavailable dual kinase inhibitor with potential antineoplastic activity. EGFR/HER2 inhibitor AV-412 binds to and inhibits the epidermal growth factor receptor (EGFR) and the human epidermal growth factor receptor 2 (HER2), which may result in the inhibition of tumor growth and angiogenesis, and tumor regression in EGFR/HER2-expressing tumors. This agent may be active against EGFR/HER2-expressing tumor cells that are resistant to first-generation kinase inhibitors. EGFR and HER2 are receptor tyrosine kinases that play major roles in tumor cell proliferation and tumor vascularization.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[4-(3-chloro-4-fluoroanilino)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-6-yl]prop-2-enamide, bis(4-methylbenzenesulfonic acid)
CAS number
451493-31-5
Molecular formula
C41H44ClFN6O7S2
UNII
Z541VW0W40
MDL number
MFCD16038940
InChIKey
GTWJVFFZCKODEV-UHFFFAOYSA-N
InChI
InChI=1S/C27H28ClFN6O.2C7H8O3S/c1-5-25(36)33-23-16-20-24(30-17-31-26(20)32-19-6-7-22(29)21(28)15-19)14-18(23)8-9-27(2,3)35-12-10-34(4)11-13-35;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-7,14-17H,1,10-13H2,2-4H3,(H,33,36)(H,30,31,32);2*2-5H,1H3,(H,8,9,10)
SMILES (canonical and isomeric)
CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C#CC1=CC2=C(C=C1NC(=O)C=C)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)N4CCN(CC4)C

Synonyms

  • AV 412
  • MP 412
  • mp-412 Ditosylate
  • AV412 cpd
  • MP412 cpd
  • bis(4-methylbenzene-1-sulfonic acid), N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-methyl-3-(4-methylpiperazin-1-yl)but-1-yn-1-yl)quinazolin-6-yl)prop-2-enamide
  • AV-412 Tosylate
  • N-(4-((3-Chloro-4-fluorophenyl)amino)-7-(3-methyl-3-(4-methylpiperazin-1-yl)but-1-yn-1-yl)quinazolin-6-yl)acrylamide bis(4-methylbenzenesulfonate)
  • 2-Propenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl]-6-quinazolinyl]-, 4-methylbenzenesulfonate (1:2)
  • 451493-31-5 (tosylate)
  • 2-Propenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl)-6-quinazolinyl)-, 4-methylbenzenesulfonate (1:2)
  • AV-412 mesylate
  • MP-412 Tosylate
  • AV-412 bis-tisylate
  • N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl)-6-quinazolinyl)acrylamide
  • C41H44ClFN6O7S2
  • AV-412, MP-412
  • AV-412 / MP-412
  • 2-Propenamide,N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl]-6-quinazolinyl]-,4-Methylbenzenesulfonate(1:2)
  • N-[4-(3-chloro-4-fluoroanilino)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-6-yl]prop-2-enamide,4-methylbenzenesulfonic acid
  • 451492-95-8 (AV-412 FREE BASE)
  • 2-Propenamide, N-(4-((3-chloro-4-fluorophenyl)amino]-7-(3-methyl-3-(4-methyl-1-piperazinyl)-1-butynyl]-6-quinazolinyl]-, bis(4-methylbenzenesulfonate)
  • N-[4-(3-chloro-4-fluoro-anilino)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-6-yl]prop-2-enamide, 4-methylbenzenesulfonic acid
  • N-[4-(3-Chloro-4-fluoroanilino)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-6-yl]prop-2-enamide tosylate
  • N-[4-(3-chloro-4-fluoroanilino)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-6-yl]prop-2-enamide, 4-methylbenzenesulfonic acid
Show all 26 synonyms
  • N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[3-methyl-3-(4-methyl-1-piperazinyl)-1-butynyl]-6-quinazolinyl]-2-propenamide bis(4-methylbenzenesulfonate)

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
851.42 g/molcalc.
Exact mass
850.2385 Dacalc.
LogP (octanol/water)
7.15calc.
Topological polar surface area
182.1 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
7calc.
Heavy atoms
58calc.
Rings
6calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.24calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
3calc.
Lipinski rule of five
Fails (2 violations)calc.

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, C(#Cc1ccc2c(Nc3ccccc3)ncnc2c1)CN1CCNCC1

C(#Cc1ccc2c(Nc3ccccc3)ncnc2c1)CN1CCNCC1

4 rings, 26 atoms.

2 other chemicals share this scaffold

Safety 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.

AV-412 suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

See the supplier

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.

Where suppliers are based

1 supplier in 1 country

Send one request to many suppliers

Choose up to 10 suppliers or let us match your request. Compare quotes side by side, free.

Choose suppliersPost a request

AV-412 price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Antineoplastic Agents
  • Protein Kinase Inhibitors

Roles

  • antineoplastic 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 AV-412 is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for AV-412 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about AV-412, based on the data on this page

What is AV-412?

EGFR/HER2 Inhibitor AV-412 is a second-generation, orally bioavailable dual kinase inhibitor with potential antineoplastic activity.

Guides for buyers

Practical guides that help when you source, ship or handle AV-412

Get quotes for AV-412

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell AV-412
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of AV-412 with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/av-412-451493-31-5" title="AV-412 structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Heterocyclic building blocks or HS code 293359

1 supplier
Free quotes, contact stays private
Get quotes