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Labradimil

Also known as Lobradimil, Cereport, RMP 7

CAS 159768-75-9Formula C49H75N15O12SMolar mass 1,098.30 g/mol
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Labradimil chemical structure, C49H75N15O12S, CAS 159768-75-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
159768-75-9
Formula
C49H75N15O12S
Molar mass
1,098.30 g/mol
HS code
293499
Category
Peptides

What is Labradimil?

Plain description, key identifiers and synonyms

Labradimil is a synthetic analog of bradykinin. Lobradimil is a potent, specific bradykinin B-2 receptor agonist that stimulates B-2 receptors expressed on the surface of brain capillary endothelial cells, thereby reversibly increasing the permeability of the blood-brain barrier (BBB). Compared to bradykinin, this agent possesses enhanced receptor selectivity, greater plasma stability, and a longer half-life. (NCI04)

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-methoxyphenyl)propyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CAS number
159768-75-9
Molecular formula
C49H75N15O12S
UNII
2MK663C346
InChIKey
IDXCXSCCZNCXCL-XMADEQCMSA-N
InChI
InChI=1S/C49H75N15O12S/c1-76-31-14-12-28(13-15-31)21-29(24-57-34(47(74)75)9-3-17-56-49(53)54)59-43(70)37-10-4-18-62(37)45(72)36(27-65)61-41(68)35(23-32-7-6-20-77-32)60-40(67)25-58-42(69)39-22-30(66)26-64(39)46(73)38-11-5-19-63(38)44(71)33(50)8-2-16-55-48(51)52/h6-7,12-15,20,29-30,33-39,57,65-66H,2-5,8-11,16-19,21-27,50H2,1H3,(H,58,69)(H,59,70)(H,60,67)(H,61,68)(H,74,75)(H4,51,52,55)(H4,53,54,56)/t29-,30+,33-,34-,35-,36-,37-,38-,39-/m0/s1
Canonical SMILES
COc1ccc(CC(CNC(CCCN=C(N)N)C(=O)O)NC(=O)C2CCCN2C(=O)C(CO)NC(=O)C(Cc2cccs2)NC(=O)CNC(=O)C2CC(O)CN2C(=O)C2CCCN2C(=O)C(N)CCCN=C(N)N)cc1
Isomeric SMILES
COC1=CC=C(C=C1)C[C@@H](CN[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=CS3)NC(=O)CNC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CCCN=C(N)N)N)O

Synonyms

  • Lobradimil
  • Cereport
  • RMP 7
  • labradimilum
  • Receptor mediated permeabilizer
  • RMP 7, Cereport
  • N2-((S)-2-(L-Arginyl-L-prolyl-trans-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-L-prolinamido)-3-(p-methoxyphenyl)propyl)-L-arginine
  • Labradimil, Lobradimil, RMP-7
  • [Hyp3,Thi5,4-Me-Tyr8psi(CH2-NH)Arg9]bradykinin
  • (Hyp3,beta-(2-thienyl)-Ala5,Tyr(Me)8-psi(CH2NH)Arg9)-Bradykinin
  • (Hyp 3,b-(2-thienyl)-Ala5,Tyr(Me)8-psi(CH2NH)Arg9)-Bradykinin trifluoroacetate salt
  • (Hyp3,beta-(2-thienyl)-Ala5,Tyr(Me)8-psi(CH2NH)Arg9)-Bradykinin trifluoroacetate salt
  • Bradykinin, 3-(trans-4-hydroxy-L-proline)-5-(3-(2-thienyl)-L-alanine)-8-de-L-phenylalanine-9-(N2-(2-amino-3-(4-methoxyphenyl)propyl)-L-arginine)-, (S)-
  • H-Arg-Pro-Hyp-Gly-?-(2-thienyl)-Ala-Ser-Pro-Tyr(Me)-psi(CH2NH)Arg-OH trifluoroacetate salt
  • L-Arginine, L-arginyl-L-prolyl-(4R)-4-hydroxy-L-prolyl-3-(2-thienyl)-L-alanylglycyl-L-seryl-L-prolyl-O-methyl-L-tyrosyl-psi(CH2-NH)-
  • N(sup 2)-((S)-2-(L-Arginyl-L-prolyl-trans-4-hydroxy-L-prolyglycyl-3-(2-thienyl)-L-alanyl-L-seryl-L-prolinamido)-3-(p-methoxyphenyl)propyl)-L-arginine
  • N(sup 2)2-((S)-2-(L-arginyl-l-prolyl-trans-4-hydroxy-l-prolyglycyl-3-(2-thienyl)-l-alanyl-l-seryl-l-prolinamido)-3-(P-methoxyphenyl)propyl)-l-arginine

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
1,098.30 g/molcalc.
Exact mass
1,097.544 Dacalc.
LogP (octanol/water)
-4.47calc.
Topological polar surface area
431.2 Ųcalc.
Hydrogen bond donors
13calc.
Hydrogen bond acceptors
16calc.
Rotatable bonds
29calc.
Heavy atoms
77calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.59calc.
Formal charge
0calc.
Stereocentres
9calc.
Lipinski rule of five
Fails (3 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=C(CNC(=O)C1CCCN1C(=O)C1CCCN1)NC(Cc1cccs1)C(=O)NCC(=O)N1CCCC1C(=O)NCCc1ccccc1

O=C(CNC(=O)C1CCCN1C(=O)C1CCCN1)NC(Cc1cccs1)C(=O)NCC(=O)N1CCCC1C(=O)NCCc1ccccc1

5 rings, 48 atoms.

No other chemical in our database has 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.

Labradimil suppliers

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Labradimil 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

  • antifungal agent
  • antimicrobial agent
  • 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 Labradimil 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 Labradimil is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Labradimil?

Labradimil is a synthetic analog of bradykinin. Lobradimil is a potent, specific bradykinin B-2 receptor agonist that stimulates B-2 receptors expressed on the surface of brain capillary endothelial cells, thereby reversibly increasing the permeability of the blood-brain barrier (BBB).

What is the CAS number of Labradimil?

The CAS registry number of Labradimil is 159768-75-9.

What is the molecular formula and weight of Labradimil?

The molecular formula of Labradimil is C49H75N15O12S and its molar mass is 1,098.30 g/mol.

What is Labradimil used for?

Known uses and roles of Labradimil include antifungal agent, antimicrobial agent, antineoplastic agent and pharmaceutical.

Is Labradimil hazardous?

No GHS hazard classification for Labradimil 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 Labradimil?

Labradimil 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 Labradimil?

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

What is the price of Labradimil?

Suppliers quote Labradimil 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 Labradimil

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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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