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Screening compounds

Nevanimibe

Also known as ATR-101 free base, nevanimiba, PD 132301

CAS 133825-80-6Formula C27H39N3OMolar mass 421.63 g/mol
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Nevanimibe chemical structure, C27H39N3O, CAS 133825-80-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
133825-80-6
Formula
C27H39N3O
Molar mass
421.63 g/mol
HS code
292421
Category
Screening compounds

What is Nevanimibe?

Plain description, key identifiers and synonyms

Nevanimibe is a chemical substance with the molecular formula C27H39N3O and a molar mass of 421.63 g/mol. Its CAS registry number is 133825-80-6. The IUPAC name is 1-[[1-[4-(dimethylamino)phenyl]cyclopentyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]urea.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-[[1-[4-(dimethylamino)phenyl]cyclopentyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CAS number
133825-80-6 CAS number cross-checked
Molecular formula
C27H39N3O
UNII
VK9OS8R205
InChIKey
PKKNCEXEVUFFFI-UHFFFAOYSA-N
InChI
InChI=1S/C27H39N3O/c1-19(2)23-10-9-11-24(20(3)4)25(23)29-26(31)28-18-27(16-7-8-17-27)21-12-14-22(15-13-21)30(5)6/h9-15,19-20H,7-8,16-18H2,1-6H3,(H2,28,29,31)
SMILES (canonical and isomeric)
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2(CCCC2)C3=CC=C(C=C3)N(C)C

Synonyms

  • ATR-101 free base
  • nevanimiba
  • PD 132301
  • nevanimibum
  • 1-(2,6-Diisopropylphenyl)-3-((1-(4-(dimethylamino)phenyl)cyclopentyl)methyl)urea
  • Nevanimibe (USAN)
  • 1-[[1-[4-(dimethylamino)phenyl]cyclopentyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]urea
  • 1-(2,6-diisopropylphenyl)-3-[[1-[4-(dimethylamino)phenyl]cyclopentyl]methyl]urea
  • N-(2,6-bis(isopropyl)phenyl)-N/'-((1-(4-(dimethylaminomethyl)phenyl)cyclopentyl)methyl)urea
  • ROV
  • N-({1-[4-(dimethylamino)phenyl]cyclopentyl}methyl)-N'-[2,6-di(propan-2-yl)phenyl]urea
  • N-(2,6-Bis(1-methylethyl)phenyl)-N'-((1-(4-(dimethylamino)phenyl)cyclopentyl)methyl)urea
  • 1-(2,6-Diisopropyl-phenyl)-3-[1-(4-dimethylamino-phenyl)-cyclopentylmethyl]-urea, hydrochloride
  • N'-({1-[4-(Dimethylamino)phenyl]cyclopentyl}methyl)-N-[2,6-di(propan-2-yl)phenyl]carbamimidic acid
  • N-(2,6-Bis(propan-2-yl)phenyl)-N'-((1-(4-(dimethylamino)phenyl) cyclopentyl)methyl)urea
  • Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-((1-(4-(dimethylamino)phenyl)cyclopentyl)methyl)-
  • Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-((1-(4-dimethylamino)phenyl)cyclopentyl)methyl)-

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
421.63 g/molcalc.
Exact mass
421.3093 Dacalc.
LogP (octanol/water)
6.63calc.
Topological polar surface area
44.37 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
7calc.
Heavy atoms
31calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.52calc.
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, O=C(NCC1(c2ccccc2)CCCC1)Nc1ccccc1

O=C(NCC1(c2ccccc2)CCCC1)Nc1ccccc1

3 rings, 22 atoms.

5 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.

Nevanimibe suppliers

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Where suppliers are based

1 supplier in 1 country

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Nevanimibe 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

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 Nevanimibe is traded under.

HS 2924.21Indicative HS code

Ureines and their derivatives, salts thereof

World exports in 2024
$149M
+12.5% vs 2023, imports $208M
2019 to 2024
Top exporters
  1. Germany25.4%
  2. China14.4%
  3. Israel12.0%
Top importers
  1. Brazil28.2%
  2. United States14.0%
  3. Japan10.0%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Nevanimibe?

Nevanimibe is a chemical substance with the molecular formula C27H39N3O and a molar mass of 421.63 g/mol. Its CAS registry number is 133825-80-6. The IUPAC name is 1-[[1-[4-(dimethylamino)phenyl]cyclopentyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]urea.

What is the CAS number of Nevanimibe?

The CAS registry number of Nevanimibe is 133825-80-6.

What is the molecular formula and weight of Nevanimibe?

The molecular formula of Nevanimibe is C27H39N3O and its molar mass is 421.63 g/mol.

What is Nevanimibe used for?

Known uses and roles of Nevanimibe include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Nevanimibe hazardous?

No GHS hazard classification for Nevanimibe 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 Nevanimibe?

Nevanimibe is usually classified under HS code 292421 (Ureines and their derivatives, salts thereof). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Nevanimibe?

CompoundList lists 1 supplier of Nevanimibe in Japan. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Nevanimibe?

Suppliers quote Nevanimibe 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

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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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