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Screening compounds

Pki-166

Also known as PKI 166, 4-(4-((1-phenylethyl)amino)-7H-pyrrolo(2,3-d)pyrimidin-6-yl)-phenol, R-, 4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[4,5-e]pyrimidin-6-yl]phenol

CAS 187724-61-4Formula C20H18N4OMolar mass 330.39 g/molEC 808-564-7
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 2 suppliers listed
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Pki-166 chemical structure, C20H18N4O, CAS 187724-61-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
187724-61-4
Formula
C20H18N4O
Molar mass
330.39 g/mol
EC number
808-564-7
HS code
293359
Category
Screening compounds

What is Pki-166?

Plain description, key identifiers and synonyms

EGFR/HER1/HER2 Inhibitor PKI166 is a pyrrolo-pyrimidine epidermal growth factor receptor (EGFR) protein kinase inhibitor with anti-tumor activity. PKI-166 reversibly inhibits HER1 and HER2 tyrosine kinases, belong to the epidermal growth factor receptor family, thereby inhibiting tumor growth and metastasis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol
CAS number
187724-61-4Other or deprecated CAS: 1350639-79-0
EC number
808-564-7
Molecular formula
C20H18N4O
UNII
9RIE5HW38P
MDL number
MFCD09970842
InChIKey
XRYJULCDUUATMC-CYBMUJFWSA-N
InChI
InChI=1S/C20H18N4O/c1-13(14-5-3-2-4-6-14)23-19-17-11-18(24-20(17)22-12-21-19)15-7-9-16(25)10-8-15/h2-13,25H,1H3,(H2,21,22,23,24)/t13-/m1/s1
Canonical SMILES
CC(Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccccc1
Isomeric SMILES
C[C@H](C1=CC=CC=C1)NC2=NC=NC3=C2C=C(N3)C4=CC=C(C=C4)O

Synonyms

  • PKI 166
  • 4-(4-((1-phenylethyl)amino)-7H-pyrrolo(2,3-d)pyrimidin-6-yl)-phenol, R-
  • 4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[4,5-e]pyrimidin-6-yl]phenol
  • 4-(4-(((1R)-1-phenylethyl)amino)-7H-pyrrolo(4,5-e)pyrimidin-6-yl)phenol
  • CGP 75166
  • 4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol
  • 4-phenethylamino-6-(yderoxyl)phenyl-7H-pyrrolo(2,3-d)pyrimidine
  • (R)-4-(4-((1-Phenylethyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenol
  • (R)-4-[4-[(1-Phen
  • PKI-166, >=98% (HPLC)

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
330.39 g/molcalc.
Exact mass
330.1481 Dacalc.
LogP (octanol/water)
4.5calc.
Topological polar surface area
73.83 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
4calc.
Heavy atoms
25calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.1calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 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, c1ccc(CNc2ncnc3[nH]c(-c4ccccc4)cc23)cc1

c1ccc(CNc2ncnc3[nH]c(-c4ccccc4)cc23)cc1

4 rings, 23 atoms.

8 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H301Toxic if swallowed.
Precautionary statements (7)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Pki-166 suppliers

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

All 2 suppliers

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

2 suppliers in 2 countries

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Pki-166 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.

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Protein Kinase 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 Pki-166 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 Pki-166 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Pki-166, based on the data on this page

What is Pki-166?

EGFR/HER1/HER2 Inhibitor PKI166 is a pyrrolo-pyrimidine epidermal growth factor receptor (EGFR) protein kinase inhibitor with anti-tumor activity. PKI-166 reversibly inhibits HER1 and HER2 tyrosine kinases, belong to the epidermal growth factor receptor family, thereby inhibiting tumor growth and metastasis.

What is the CAS number of Pki-166?

The CAS registry number of Pki-166 is 187724-61-4. Other or deprecated CAS numbers: 1350639-79-0.

What is the molecular formula and weight of Pki-166?

The molecular formula of Pki-166 is C20H18N4O and its molar mass is 330.39 g/mol.

What is Pki-166 used for?

Known uses and roles of Pki-166 include building blocks in research and laboratory, screening compounds in research and laboratory, biochemical and pharmacological tools in research and laboratory and protein kinase inhibitors.

Is Pki-166 hazardous?

Pki-166 carries the GHS signal word "Danger". Main hazards: toxic if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Pki-166?

Pki-166 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 Pki-166?

CompoundList lists 2 suppliers of Pki-166 in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Pki-166?

Suppliers quote Pki-166 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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