CompoundList
Sign in
Screening compounds

Mpc-3100

Also known as 1-Propanone, 1-(4-(2-(6-amino-8-((6-bromo-1,3-benzodioxol-5-yl)thio)-9H-purin-9-yl)ethyl)-1-piperidinyl)-2-hydroxy-, (2S)-, LAM 003A, Hsp90 inhibitor lam-003a

CAS 958025-66-6Formula C22H25BrN6O4SMolar mass 549.45 g/mol
Get quotes Safety data
Mpc-3100 chemical structure, C22H25BrN6O4S, CAS 958025-66-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
958025-66-6
Formula
C22H25BrN6O4S
Molar mass
549.45 g/mol
HS code
293499
Category
Screening compounds

What is Mpc-3100?

Plain description, key identifiers and synonyms

Hsp90 Inhibitor LAM-003A is an orally bioavailable, synthetic, second-generation small-molecule inhibitor of heat shock protein 90 (Hsp90) with potential antineoplastic activity. Hsp90 inhibitor LAM-003A selectively binds to Hsp90, thereby inhibiting its chaperone function and promoting the degradation of oncogenic signaling proteins involved in tumor cell proliferation and survival, this agent may inhibit the growth and survival of a wide variety of cancer cell types. Hsp90, a chaperone protein upregulated in a variety of tumor cells, regulates the folding, stability, and degradation of many oncogenic signaling proteins.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-1-[4-[2-[6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethyl]piperidin-1-yl]-2-hydroxypropan-1-one
CAS number
958025-66-6 CAS number cross-checked
Molecular formula
C22H25BrN6O4S
UNII
9UMA2EEO9Q
MDL number
MFCD22056121
InChIKey
CVBWTNHDKVVFMI-LBPRGKRZSA-N
InChI
InChI=1S/C22H25BrN6O4S/c1-12(30)21(31)28-5-2-13(3-6-28)4-7-29-20-18(19(24)25-10-26-20)27-22(29)34-17-9-16-15(8-14(17)23)32-11-33-16/h8-10,12-13,30H,2-7,11H2,1H3,(H2,24,25,26)/t12-/m0/s1
Canonical SMILES
CC(O)C(=O)N1CCC(CCn2c(Sc3cc4c(cc3Br)OCO4)nc3c(N)ncnc32)CC1
Isomeric SMILES
C[C@@H](C(=O)N1CCC(CC1)CCN2C3=NC=NC(=C3N=C2SC4=C(C=C5C(=C4)OCO5)Br)N)O

Synonyms

  • 1-Propanone, 1-(4-(2-(6-amino-8-((6-bromo-1,3-benzodioxol-5-yl)thio)-9H-purin-9-yl)ethyl)-1-piperidinyl)-2-hydroxy-, (2S)-
  • LAM 003A
  • Hsp90 inhibitor lam-003a
  • (S)-1-(4-(2-(6-Amino-8-((6-bromobenzo[d][1,3]dioxol-5-yl)thio)-9H-purin-9-yl)ethyl)piperidin-1-yl)-2-hydroxypropan-1-one
  • (2S)-1-[4-[2-[6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethyl]piperidin-1-yl]-2-hydroxypropan-1-one
  • C22H25BrN6O4S
  • MPC 3100
  • (S)-1-(4-(2-(6-amino-8-((6-bromobenzo[d][1,3]dioxol-5-yl)thio)-9H-purin-9-yl)ethyl)piperidin-1-yl)-2-hydroxypropan-1-one.
  • (2S)-1-[4-(2-{6-Amino-8-[(6-bromo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}ethyl)piperidin-1-yl]-2-hydroxypropan-1-one
  • (2S)-1-[4-[2-[6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethyl]-1-piperidyl]-2-hydroxy-propan-1-one

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
549.45 g/molcalc.
Exact mass
548.0841 Dacalc.
LogP (octanol/water)
3.06calc.
Topological polar surface area
128.6 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
6calc.
Heavy atoms
34calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
1calc.
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, c1ncc2nc(Sc3ccc4c(c3)OCO4)n(CCC3CCNCC3)c2n1

c1ncc2nc(Sc3ccc4c(c3)OCO4)n(CCC3CCNCC3)c2n1

5 rings, 27 atoms.

3 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.

Mpc-3100 suppliers

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

No supplier listings yet

Post one free request and suppliers who make or trade Mpc-3100 can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Mpc-3100 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.

Get latest price

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 Mpc-3100 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Mpc-3100 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Mpc-3100, based on the data on this page

What is Mpc-3100?

Hsp90 Inhibitor LAM-003A is an orally bioavailable, synthetic, second-generation small-molecule inhibitor of heat shock protein 90 (Hsp90) with potential antineoplastic activity.

What is the CAS number of Mpc-3100?

The CAS registry number of Mpc-3100 is 958025-66-6.

What is the molecular formula and weight of Mpc-3100?

The molecular formula of Mpc-3100 is C22H25BrN6O4S and its molar mass is 549.45 g/mol.

What is Mpc-3100 used for?

Known uses and roles of Mpc-3100 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Mpc-3100 hazardous?

No GHS hazard classification for Mpc-3100 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 Mpc-3100?

Mpc-3100 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Mpc-3100?

Post a free request on CompoundList and suppliers of Mpc-3100 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Mpc-3100?

Suppliers quote Mpc-3100 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 Mpc-3100

Get quotes for Mpc-3100

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Mpc-3100
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Mpc-3100 with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/mpc-3100-958025-66-6" title="Mpc-3100 structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Screening compounds or HS code 293499

Price on request
Free quotes, contact stays private
Get quotes