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Screening compounds

Ancriviroc

Also known as SCH 351125, [4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)methanone, 4-((4-bromophenyl)-(ethoxyimino)methyl)-1'-((2,4-dimethyl-3-pyridinyl)carbonyl)-4'-methyl-1,4'-bipiperidine N-oxide

CAS 370893-06-4Formula C28H37BrN4O3Molar mass 557.53 g/mol
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Ancriviroc chemical structure, C28H37BrN4O3, CAS 370893-06-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
370893-06-4
Formula
C28H37BrN4O3
Molar mass
557.53 g/mol
HS code
293339
Category
Screening compounds

What is Ancriviroc?

Plain description, key identifiers and synonyms

Ancriviroc is a C-C Chemokine Receptor Type 5 (CCR5) antagonist with activity against the human immunodeficiency virus, HIV-1. Ancriviroc is an orally bioavailable small molecule inhibitor of HIV-1 entry via CCR5 coreceptor interaction.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)methanone
CAS number
370893-06-4Other or deprecated CAS: 305792-46-5
Molecular formula
C28H37BrN4O3
UNII
322WXU4AU2
InChIKey
ZGDKVKUWTCGYOA-URGPHPNLSA-N
InChI
InChI=1S/C28H37BrN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3/b30-26+
Canonical SMILES
CCON=C(c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1
Isomeric SMILES
CCO/N=C(/C1CCN(CC1)C2(CCN(CC2)C(=O)C3=C(C=C[N+](=C3C)[O-])C)C)\C4=CC=C(C=C4)Br

Synonyms

  • SCH 351125
  • [4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)methanone
  • 4-((4-bromophenyl)-(ethoxyimino)methyl)-1'-((2,4-dimethyl-3-pyridinyl)carbonyl)-4'-methyl-1,4'-bipiperidine N-oxide
  • ancrivirocum
  • (4-(4-((Z)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl)piperidin-1-yl)-4-methylpiperidin-1-yl)-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)methanone
  • Sch-c & aop-rantes
  • SCH-C
  • Sch 351125 & aop-rantes
  • SCH 351125 (non-stereospecific)
  • Methanone, (4-bromophenyl)(1'-((2,4-dimethyl-3-pyridinyl)carbonyl)-4'-methyl(1,4'-bipiperidin)-4-yl)-, O-ethyloxime, (Z)-, N1-oxide & AOP-RANTES
  • Methanone, (4-bromophenyl)(1'-((2,4-dimethyl-3-pyridinyl)carbonyl)-4'-methyl(1,4'-pipiperidin)-4-yl)-, O-ethyloxime, N1-oxide
  • (Z)-3-(4-((4-Bromophenyl)(ethoxyimino)methyl)-4'-methyl-[1,4'-bipiperidine]-1'-carbonyl)-2,4-dimethylpyridine 1-oxide
  • [3H]ancriviroc
  • 1'-[(2,4-Dimethyl-1-oxidopyridin-3-yl)carbonyl]-4'-methyl-1,4'-bipiperidine
  • [4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)methanone
  • [4-[4-[C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2,4-dimethyl-1-oxido-pyridin-3-yl)methanone
  • Methanone, (4-bromophenyl)[1'-[(2,4-dimethyl-3-pyridinyl)carbonyl]-4'-methyl[1,4'-bipiperidin]-4-yl]-, O-ethyloxime, (Z)-, N1-oxide & AOP-RANTES
  • SCH C
  • SCH-C & PA14
  • [3H]Sch-351125
  • [3H]SCH 351125
  • (2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone
  • Methanone, (4-bromophenyl)[1'-[(2,4-dimethyl-3-pyridinyl)carbonyl]-4'-methyl[1,4'-bipiperidin]-4-yl]-, O-ethyloxime, (Z)-, N1-oxide
  • (1,4'-Bipiperidine)-4-methanimine, alpha-(4-bromophenyl)-1'-((2,4-dimethyl-1-oxido-3-pyridinyl)carbonyl)-N-ethoxy-4'-methyl-, (.alpha.z)-
  • (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4''''-methyl-[1,4'''']bipiperidinyl-1''''-yl)-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone
Show all 31 synonyms
  • (4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4''''''''-methyl-[1,4'''''''']bipiperidinyl-1''''''''-yl)-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone
  • (4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4''-methyl-[1,4'']bipiperidinyl-1''-yl)-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone
  • {4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4''''-methyl-[1,4'''']bipiperidinyl-1''''-yl}-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone
  • 3-(4-((4-bromophenyl)(ethoxyimino)methyl)-4''''-methyl-1,4''''-bipiperidine-1''''-carbonyl)-1,2,4-trimethylpyridinium
  • 3-[(4-{4-[(1Z)-(4-bromophenyl)(ethoxyimino)methyl]piperidin-1-yl}-4-methylpiperidin-1-yl)carbonyl]-2,4-dimethylpyridin-1-ium-1-olate
  • 4-((Z)-(4-Bromophenyl)(ethoxyimino)methyl)-1'-((2,4-dimethyl-1-oxidopyridin-3-yl)carbonyl)-4'-methyl(1,4'-bipiperidinyl)

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
557.53 g/molcalc.
Exact mass
556.2049 Dacalc.
LogP (octanol/water)
4.85calc.
Topological polar surface area
72.08 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
6calc.
Heavy atoms
36calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.54calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)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, N=C(c1ccccc1)C1CCN(C2CCN(C(=O)c3cccnc3)CC2)CC1

N=C(c1ccccc1)C1CCN(C2CCN(C(=O)c3cccnc3)CC2)CC1

4 rings, 28 atoms.

1 other chemical 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.

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Ancriviroc price

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • CCR5 Receptor Antagonists

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 Ancriviroc is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Ancriviroc, based on the data on this page

What is Ancriviroc?

Ancriviroc is a C-C Chemokine Receptor Type 5 (CCR5) antagonist with activity against the human immunodeficiency virus, HIV-1. Ancriviroc is an orally bioavailable small molecule inhibitor of HIV-1 entry via CCR5 coreceptor interaction.

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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