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Screening compounds

Samuraciclib

Also known as ICEC0942, PPDA-001, CT 7001

CAS 1805833-75-3Formula C22H30N6OMolar mass 394.52 g/molEC 894-605-4
GHS signal word: Warning. Pictograms: Harmful or irritant, Serious health hazard 2 suppliers listed
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Samuraciclib chemical structure, C22H30N6O, CAS 1805833-75-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1805833-75-3
Formula
C22H30N6O
Molar mass
394.52 g/mol
EC number
894-605-4
HS code
293359
Category
Screening compounds

What is Samuraciclib?

Plain description, key identifiers and synonyms

Samuraciclib is an orally available, selective inhibitor of cyclin-dependent kinase 7 (CDK7) with potential antineoplastic activity. Upon oral administration, samuraciclib selectively and competitively binds to the CDK7 ATP binding site, thereby inhibiting CDK7-mediated signaling. CDK7, a serine/threonine kinase, plays a role in controlling cell cycle progression, transcriptional regulation, and promotes the expression of key oncogenes such as c-Myc through the phosphorylation of RNA polymerase II. Inhibition of CDK7 may inhibit tumor cell proliferation in certain cancers that are dependent on CDK7-mediated transcriptional regulation and signaling.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3R,4R)-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
CAS number
1805833-75-3Other or deprecated CAS: 1805789-54-1
EC number
894-605-4
Molecular formula
C22H30N6O
UNII
46D4HS9ODA
MDL number
MFCD32638713
InChIKey
YCVGLKWJKIKVBI-MJGOQNOKSA-N
InChI
InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1
Canonical SMILES
CC(C)c1cnn2c(NCc3ccccc3)cc(NCC3CCNCC3O)nc12
Isomeric SMILES
CC(C)C1=C2N=C(C=C(N2N=C1)NCC3=CC=CC=C3)NC[C@H]4CCNC[C@@H]4O

Synonyms

  • ICEC0942
  • PPDA-001
  • CT 7001
  • CDK7 Inhibitor CT7001
  • ICEC-0942
  • ICEC0942 free base
  • ICEC 0942
  • (3R,4R)-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
  • Samuraciclib HCl
  • (3R,4R)-4-(((7-(Benzylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-5-yl)amino)methyl)piperidin-3-ol
  • CT7001 HCl
  • (3R,4R)-4-[[[3-(1-Methylethyl)-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]-3-piperidinol
  • 3-Piperidinol, 4-(((3-(1-methylethyl)-7-((phenylmethyl)amino)pyrazolo(1,5-a)pyrimidin-5-yl)amino)methyl)-, (3R,4R)-
  • Samuraciclib?
  • (3r,4r)-4-[[[7-[(Phenylmethyl)amino]-3-Propan-2-Yl-Pyrazolo[1,5-A]pyrimidin-5-Yl]amino]methyl]piperidin-3-Ol
  • 3-Piperidinol, 4-[[[3-(1-methylethyl)-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]-, (3R,4R)-
  • Samuraciclib di-HCl
  • 1805833-75-3 (free base)
  • CT7001 di-HCl
  • CT-7001 di-HCl
  • CT-7001 HCl
  • (ICEC0942
  • ICEC0942 (CT7001) Free base
  • CT7001)
  • (3~{R},4~{R})-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
Show all 28 synonyms
  • (3R,4R)-4-({[7-(benzylamino)-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}methyl)piperidin-3-ol
  • (3R,4R)-4-((7-(benzylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-5-ylamino)methyl)piperidin-3-ol dihydrochloride
  • 3-Piperidinol,4-[[[3-(1-methylethyl)-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]-,(3R,4R)-

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
394.52 g/molcalc.
Exact mass
394.2481 Dacalc.
LogP (octanol/water)
2.85calc.
Topological polar surface area
86.51 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
7calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
2calc.
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(CNc2cc(NCC3CCNCC3)nc3ccnn23)cc1

c1ccc(CNc2cc(NCC3CCNCC3)nc3ccnn23)cc1

4 rings, 25 atoms.

4 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H302Harmful if swallowed.
  • H361fdSuspected of damaging fertility. Suspected of damaging the unborn child.
  • H373May cause damage to organs through prolonged or repeated exposure.
Precautionary statements (11)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • 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

Samuraciclib suppliers

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All 2 suppliers

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Where suppliers are based

2 suppliers in 1 country

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Samuraciclib 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

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

Frequently asked questions

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

What is Samuraciclib?

Samuraciclib is an orally available, selective inhibitor of cyclin-dependent kinase 7 (CDK7) with potential antineoplastic activity. Upon oral administration, samuraciclib selectively and competitively binds to the CDK7 ATP binding site, thereby inhibiting CDK7-mediated signaling.

What is the CAS number of Samuraciclib?

The CAS registry number of Samuraciclib is 1805833-75-3. Other or deprecated CAS numbers: 1805789-54-1.

What is the molecular formula and weight of Samuraciclib?

The molecular formula of Samuraciclib is C22H30N6O and its molar mass is 394.52 g/mol.

What is Samuraciclib used for?

Known uses and roles of Samuraciclib include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent and pharmaceutical.

Is Samuraciclib hazardous?

Samuraciclib carries the GHS signal word "Warning". Main hazards: harmful if swallowed, suspected of damaging fertility. suspected of damaging the unborn child, may cause damage to organs through prolonged or repeated exposure. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Samuraciclib?

Samuraciclib 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 Samuraciclib?

CompoundList lists 2 suppliers of Samuraciclib in 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 Samuraciclib?

Suppliers quote Samuraciclib 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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