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Screening compounds

Cilengitide

Also known as EMD 121974, Cilengitida, cyclo(arginyl-glycyl-formylaspartyl-N-methylvalyl)

CAS 188968-51-6Formula C27H40N8O7Molar mass 588.67 g/mol
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Cilengitide chemical structure, C27H40N8O7, CAS 188968-51-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
188968-51-6
Formula
C27H40N8O7
Molar mass
588.67 g/mol
HS code
293379
Category
Screening compounds

What is Cilengitide?

Plain description, key identifiers and synonyms

Cilengitide is an oligopeptide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(2S,5R,8S,11S)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
CAS number
188968-51-6 CAS number cross-checked
Molecular formula
C27H40N8O7
UNII
4EDF46E4GI
MDL number
MFCD04307743
InChIKey
AMLYAMJWYAIXIA-VWNVYAMZSA-N
InChI
InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1
Canonical SMILES
CC(C)C1C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(Cc2ccccc2)C(=O)N1C
Isomeric SMILES
CC(C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N1C)CC2=CC=CC=C2)CC(=O)O)CCCN=C(N)N

Synonyms

  • EMD 121974
  • Cilengitida
  • cyclo(arginyl-glycyl-formylaspartyl-N-methylvalyl)
  • 2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopropyl)-7-methyl-3,6,9,12,15-pentaoxo-8-(propan-2-yl)-1,4,7,10,13-pentaazacyclopentadecan-2-yl]acetic acid
  • cyclo(RGDf-N(Me)V)
  • cilengitidum
  • 2-((2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopropyl)-7-methyl-3,6,9,12,15-pentaoxo-8-(propan-2-yl)-1,4,7,10,13-pentaazacyclopentadecan-2-yl)acetic acid
  • 2-[(2S,5R,8S,11S)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
  • Cyclo(L-arginylglycyl-L-alpha-aspartyl-D-phenylalanyl-N-methyl-L-valyl)
  • c(RGDfMeV)
  • Cyclo(L-arginylglycyl-L-aspartyl-D-phenylalanyl-N-methyl-L-valyl)
  • 2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-8-isopropyl-7-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl)acetic acid
  • Cilengtide
  • cyclo-(Arg-Gly-Asp-DPhe-NMeVal)
  • Cilengitide?
  • Cilengitide acetate
  • cyclic-Arg-Gly-Asp-D-Phe(N-methyl)Val
  • Cilengitide (USAN/INN)
  • 188968-51-6(free base)
  • cyclo(Arg-Gly-Asp-D-Phe-[N-Me]Val)
  • 2-[(2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-8-isopropyl-7-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
  • Cyclo(L-arginylglycyl-L-|A-aspartyl-D-phenylalanyl-N-methyl-L-valyl)
  • [(2S,5R,8S,11S)-5-benzyl-11-(3-guanidino-propyl)-8-isopropyl-7-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-acetic acid

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
588.67 g/molcalc.
Exact mass
588.302 Dacalc.
LogP (octanol/water)
-2.18calc.
Topological polar surface area
238.4 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
9calc.
Heavy atoms
42calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.52calc.
Formal charge
0calc.
Stereocentres
4calc.
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=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CN1

O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CN1

2 rings, 27 atoms.

43 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.

Cilengitide suppliers

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All 10 suppliers
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Where suppliers are based

10 suppliers in 5 countries

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Cilengitide 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

Pharmacology

Cilengitide is a cyclic Arg-Gly-Asp peptide with potential antineoplastic activity. Cilengitide binds to and inhibits the activities of the alpha(v)beta(3) and alpha(v)beta(5) integrins, thereby inhibiting endothelial cell-cell interactions, endothelial cell-matrix interactions, and angiogenesis. (NCI04)

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

Frequently asked questions

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

What is Cilengitide?

Cilengitide is an oligopeptide.

What is the CAS number of Cilengitide?

The CAS registry number of Cilengitide is 188968-51-6.

What is the molecular formula and weight of Cilengitide?

The molecular formula of Cilengitide is C27H40N8O7 and its molar mass is 588.67 g/mol.

What is Cilengitide used for?

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

Is Cilengitide hazardous?

No GHS hazard classification for Cilengitide 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 Cilengitide?

Cilengitide 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 Cilengitide?

CompoundList lists 10 suppliers of Cilengitide in China, Germany, Italy, Russia and 1 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Cilengitide?

Suppliers quote Cilengitide 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 Cilengitide

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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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