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Screening compounds

Aplaviroc

Also known as GW 873140, 4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid, Benzoic acid, 4-(4-(((3R)-1-butyl-3-((R)-cyclohexylhydroxymethyl)-2,5-dioxo-1,4,9-triazaspiro(55)undec-9-yl)methyl)phenoxy)-

CAS 461443-59-4Formula C33H43N3O6Molar mass 577.72 g/mol
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Aplaviroc chemical structure, C33H43N3O6, CAS 461443-59-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
461443-59-4
Formula
C33H43N3O6
Molar mass
577.72 g/mol
HS code
293359
Category
Screening compounds

What is Aplaviroc?

Plain description, key identifiers and synonyms

Aplaviroc is a C-C Chemokine Receptor Type 5 (CCR5) antagonist with activity against HIV-1. Aplaviroc inhibits HIV-1 entry via CCR5 coreceptor interaction.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid
CAS number
461443-59-4 CAS number cross-checkedOther or deprecated CAS: 674782-28-6
Molecular formula
C33H43N3O6
UNII
98B425P30V
InChIKey
GWNOTCOIYUNTQP-FQLXRVMXSA-N
InChI
InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1
Canonical SMILES
CCCCN1C(=O)C(C(O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2
Isomeric SMILES
CCCCN1C(=O)[C@H](NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)O)[C@@H](C5CCCCC5)O

Synonyms

  • GW 873140
  • 4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid
  • Benzoic acid, 4-(4-(((3R)-1-butyl-3-((R)-cyclohexylhydroxymethyl)-2,5-dioxo-1,4,9-triazaspiro(55)undec-9-yl)methyl)phenoxy)-
  • aplavirocum
  • 4-(4-(((3R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro(5.5)undecan-9-yl)methyl)phenoxy)benzoic acid
  • 4-(4-(((3R)-1-butyl-3-((R)-cyclohexyl-hydroxymethyl)-2,5-dioxo-1,4,9-triazaspiro(5.5)undecan-9-yl)methyl)phenoxy)benzoic acid
  • 4-[4-({(3R)-1-Butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl}methyl)phenoxy]benzoic acid
  • 4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl-hydroxymethyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid
  • 4-(4-(((3R)-1-butyl-3-((R)-cyclohexylhydroxymethyl)-2,5-dioxo-1,4,9-triazaspiro(5.5)undecan-9-yl)methyl)phenoxy)benzoic acid
  • AK 602
  • 4-[4-[[(9R)-11-butyl-9-[(R)-cyclohexyl(hydroxy)methyl]-7,10-dioxo-3,8,11-triazaspiro[5.5]undecan-3-yl]methyl]phenoxy]benzoic acid
  • 4-(4-(((R)-1-Butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid
  • ONO 4128
  • PG9-apl conjugate
  • CD4-IgG-apl conjugate
  • mAB b12-apl conjugate
  • 4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride
  • AK 602, GSK 873140, GW 873140
  • mAb 2G12-apl conjugate
  • mAB PG16-apl conjugate
  • CD4-IgG aplaviroc conjugate
  • mAB PG9-aplaviroc conjugate
  • Trastuzumab-aplaviroc conjugate
  • b12 antibody-aplaviroc conjugate
  • PG16 antibody-aplaviroc conjugate
Show all 30 synonyms
  • 2G12 antibody-aplaviroc conjugate
  • 4-((4-(((3R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro(5.5)undec-9-yl)methyl)phenyl)oxy)benzoic acid hydrochloride
  • Trastuzumab antibody conjugated with aplaviroc
  • Benzoic acid, 4-[4-[[1-butyl-3-[(R)-cyclohexylhydroxymethyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]methyl]phenoxy]-
  • Benzoic acid, 4-[4-[[1-butyl-3-[(R)-cyclohexylhydroxymethyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]methyl]phenoxy]- & Soluble CD4

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
577.72 g/molcalc.
Exact mass
577.3152 Dacalc.
LogP (octanol/water)
4.58calc.
Topological polar surface area
119.4 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
10calc.
Heavy atoms
42calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.55calc.
Formal charge
0calc.
Stereocentres
2calc.
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, O=C1NC2(CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)C(=O)NC1CC1CCCCC1

O=C1NC2(CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)C(=O)NC1CC1CCCCC1

5 rings, 34 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.

Aplaviroc suppliers

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Aplaviroc price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • HIV Fusion Inhibitors

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 Aplaviroc 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 Aplaviroc is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Aplaviroc?

Aplaviroc is a C-C Chemokine Receptor Type 5 (CCR5) antagonist with activity against HIV-1. Aplaviroc inhibits HIV-1 entry via CCR5 coreceptor interaction.

What is the CAS number of Aplaviroc?

The CAS registry number of Aplaviroc is 461443-59-4. Other or deprecated CAS numbers: 674782-28-6.

What is the molecular formula and weight of Aplaviroc?

The molecular formula of Aplaviroc is C33H43N3O6 and its molar mass is 577.72 g/mol.

What is Aplaviroc used for?

Known uses and roles of Aplaviroc include building blocks in research and laboratory, screening compounds in research and laboratory and hiv fusion inhibitors.

Is Aplaviroc hazardous?

No GHS hazard classification for Aplaviroc is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Aplaviroc?

Aplaviroc is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Aplaviroc?

Post a free request on CompoundList and suppliers of Aplaviroc will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Aplaviroc?

Suppliers quote Aplaviroc on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Aplaviroc

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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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