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Screening compounds

Retaspimycin

Also known as Retaspimicina, Retaspimycine, Geldanamycin, 18,21-didehydro-17-demethoxy-18,21-dideoxo-18,21-dihydroxy-17-(2-propenylamino)-

CAS 857402-23-4Formula C31H45N3O8Molar mass 587.71 g/mol
1 supplier listed
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Retaspimycin chemical structure, C31H45N3O8, CAS 857402-23-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
857402-23-4
Formula
C31H45N3O8
Molar mass
587.71 g/mol
HS code
293379
Category
Screening compounds

What is Retaspimycin?

Plain description, key identifiers and synonyms

Retaspimycin is an ansamycin that is tanespimycin in which the benzoquinone moiety has been reduced to the corresponding hydroquinone. A semi-synthetic analogue of geldanamycin, it is used (generally as the hydrochloride salt) in cancer treatment. It has a role as an antineoplastic agent and a Hsp90 inhibitor. It is an ansamycin, a carbamate ester, a member of hydroquinones, an organic heterobicyclic compound, a secondary amino compound and a semisynthetic derivative. It is functionally related to a geldanamycin. It is a conjugate base of a retaspimycin(1+).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13,20,22-trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-9-yl] carbamate
CAS number
857402-23-4 CAS number cross-checked
Molecular formula
C31H45N3O8
UNII
BZF2ZM0I5Z
InChIKey
OAKGNIRUXAZDQF-TXHRRWQRSA-N
InChI
InChI=1S/C31H45N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,35-37H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1
Canonical SMILES
C=CCNc1c(O)cc2c(O)c1CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)N2
Isomeric SMILES
C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=C(C(=C2O)C1)NCC=C)O)/C)OC)OC(=O)N)\C)C)O)OC

Synonyms

  • Retaspimicina
  • Retaspimycine
  • Geldanamycin, 18,21-didehydro-17-demethoxy-18,21-dideoxo-18,21-dihydroxy-17-(2-propenylamino)-
  • retaspimycinum
  • 17-allylamino-17-demethoxygeldanamycin hydroquinone
  • 17-allylamino-17-demethoxygeldanamycin hydroquinone salt
  • Retaspimycin (USAN/INN)

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
587.71 g/molcalc.
Exact mass
587.3207 Dacalc.
LogP (octanol/water)
4.16calc.
Topological polar surface area
172.6 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
6calc.
Heavy atoms
42calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.48calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Fails (2 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, O=C1C=CC=CCCC=CCCCCCCc2cccc(c2)N1

O=C1C=CC=CCCC=CCCCCCCc2cccc(c2)N1

2 rings, 23 atoms.

22 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.

Retaspimycin suppliers

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

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  • EvitaChem
    China, BeijingUnclaimed profile
    RetaspimycinGrade, purity and minimum order on request
    Price on request
    View

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Where suppliers are based

1 supplier in 1 country

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Retaspimycin 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

  • Hsp90 inhibitor
  • antineoplastic agent
  • enzyme inhibitor
  • pharmaceutical

Pharmacology

Retaspimycin is a small-molecule inhibitor of heat shock protein 90 (HSP90) with antiproliferative and antineoplastic activities. Retaspimycin binds to and inhibits the cytosolic chaperone functions of HSP90, which maintains the stability and functional shape of many oncogenic signaling proteins and may be overexpressed or overactive in tumor cells. Retaspimycin-mediated inhibition of HSP90 promotes the proteasomal degradation of oncogenic signaling proteins in susceptible tumor cell populations, which may result in the induction of apoptosis.

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 Retaspimycin is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Retaspimycin?

Retaspimycin is an ansamycin that is tanespimycin in which the benzoquinone moiety has been reduced to the corresponding hydroquinone. A semi-synthetic analogue of geldanamycin, it is used (generally as the hydrochloride salt) in cancer treatment. It has a role as an antineoplastic agent and a Hsp90 inhibitor.

What is the CAS number of Retaspimycin?

The CAS registry number of Retaspimycin is 857402-23-4.

What is the molecular formula and weight of Retaspimycin?

The molecular formula of Retaspimycin is C31H45N3O8 and its molar mass is 587.71 g/mol.

What is Retaspimycin used for?

Known uses and roles of Retaspimycin include building blocks in research and laboratory, screening compounds in research and laboratory, hsp90 inhibitor, antineoplastic agent, enzyme inhibitor and 1 more.

Is Retaspimycin hazardous?

No GHS hazard classification for Retaspimycin 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 Retaspimycin?

Retaspimycin is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Retaspimycin?

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

What is the price of Retaspimycin?

Suppliers quote Retaspimycin 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 Retaspimycin

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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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