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Chemistry

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Also known as: 1392278-76-0, Unii-z8mxu5gh4q, Irgd peptide, Irgd, Cend-1, Irgd-peptide
Molecular Formula
C35H57N13O14S2
Molecular Weight
948.0  g/mol
InChI Key
YHTTWXCDIRTOQX-FQJIPJFPSA-N

CEND-1
Internalized-arginylglycylaspartic Acid Cyclic Peptide is a 9 amino acid-based cyclic, tumor specific homing, arginine-glycine-aspartic acid (RGD)-based peptide (CRGDKRGPDC), with tumor penetrating activity. The iRGD contains the RGD motif as well as the C-terminal end binding (CendR) motif that increases internalization. Upon administration, the RGD motif of the iRGD peptide is able to specifically target tumors by binding to alphavbeta3/alphavbeta5 integrins on tumor endothelium. In turn, iRGD is cleaved by specific tumor proteases, which exposes the positively charged CendR motif. This motif binds to neuropilin-1 (NRP-1), a receptor overexpressed on certain tumor cells. This increases vascular permeability of tumor blood vessels and promotes tumor penetration. Compared to other RGD peptides, this agent is able to both improve delivery and increase the accumulation of co-administered or conjugated chemotherapeutic agents in the tumor.
1 2D Structure

CEND-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(6S,9S,15S,18R,23R,26S,29S)-18-amino-6-(4-aminobutyl)-9,26-bis(carboxymethyl)-15-[3-(diaminomethylideneamino)propyl]-2,5,8,11,14,17,25,28-octaoxo-20,21-dithia-1,4,7,10,13,16,24,27-octazabicyclo[27.3.0]dotriacontane-23-carboxylic acid
2.1.2 InChI
InChI=1S/C35H57N13O14S2/c36-8-2-1-5-18-30(57)42-14-25(50)48-10-4-7-23(48)33(60)46-21(12-27(53)54)32(59)47-22(34(61)62)16-64-63-15-17(37)28(55)44-19(6-3-9-40-35(38)39)29(56)41-13-24(49)43-20(11-26(51)52)31(58)45-18/h17-23H,1-16,36-37H2,(H,41,56)(H,42,57)(H,43,49)(H,44,55)(H,45,58)(H,46,60)(H,47,59)(H,51,52)(H,53,54)(H,61,62)(H4,38,39,40)/t17-,18-,19-,20-,21-,22-,23-/m0/s1
2.1.3 InChI Key
YHTTWXCDIRTOQX-FQJIPJFPSA-N
2.1.4 Canonical SMILES
C1CC2C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)N2C1)CCCCN)CC(=O)O)CCCN=C(N)N)N)C(=O)O)CC(=O)O
2.1.5 Isomeric SMILES
C1C[C@H]2C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N2C1)CCCCN)CC(=O)O)CCCN=C(N)N)N)C(=O)O)CC(=O)O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Crgdkgpdc Peptide

2. Internalizing-rgd Peptide

3. Irgd Peptide

4. N-end Cysteine Peptide Tumor-homing Peptide

2.2.2 Depositor-Supplied Synonyms

1. 1392278-76-0

2. Unii-z8mxu5gh4q

3. Irgd Peptide

4. Irgd

5. Cend-1

6. Irgd-peptide

7. Z8mxu5gh4q

8. C(crgdkgpdc)c(crgdkgpdc)

9. Nsc838763

10. Nsc-838763

11. Internalized-arginylglycylaspartic Acid Cyclic Peptide

12. Q48988348

13. L-cysteine, L-cysteinyl-l-arginylglycyl-l-alpha-aspartyl-l-lysylglycyl-l-prolyl-l-alpha-aspartyl-, Cyclic (1->9)-disulfide

2.3 Create Date
2018-06-28
3 Chemical and Physical Properties
Molecular Weight 948.0 g/mol
Molecular Formula C35H57N13O14S2
XLogP3-11.3
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count19
Rotatable Bond Count13
Exact Mass947.35893589 g/mol
Monoisotopic Mass947.35893589 g/mol
Topological Polar Surface Area503 Ų
Heavy Atom Count64
Formal Charge0
Complexity1750
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

ABOUT THIS PAGE

CEND-1 Manufacturers

A CEND-1 manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of CEND-1, including repackagers and relabelers. The FDA regulates CEND-1 manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. CEND-1 API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

CEND-1 Suppliers

A CEND-1 supplier is an individual or a company that provides CEND-1 active pharmaceutical ingredient (API) or CEND-1 finished formulations upon request. The CEND-1 suppliers may include CEND-1 API manufacturers, exporters, distributors and traders.

CEND-1 NDC

National Drug Code is a comprehensive database maintained by the FDA that contains information on all drugs marketed in the US. This directory includes information about finished drug products, unfinished drug products, and compounded drug products, including those containing CEND-1 as an active pharmaceutical ingredient (API).

Finished drug products

The FDA updates the NDC directory daily. The NDC numbers for CEND-1 API and other APIs are published in this directory by the FDA.

Unfinished drugs

The NDC unfinished drugs database includes product listing information submitted for all unfinished drugs, such as active pharmaceutical ingredients (APIs), drugs intended for further processing and bulk drug substances for compounding.

Pharmaceutical companies that manufacture CEND-1 as an active pharmaceutical ingredient (API) must furnish the FDA with an updated record of all drugs that they produce, prepare, propagate, compound, or process for commercial distribution in the US at their facilities.

Compounded drug products

The NDC directory also contains data on finished compounded human drug products that contain CEND-1 and are produced by outsourcing facilities. While these outsourcing facilities are not mandated to assign a CEND-1 NDC to their finished compounded human drug products, they may choose to do so.

click here to find a list of CEND-1 suppliers with NDC on PharmaCompass.

CEND-1 GMP

CEND-1 Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of CEND-1 GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right CEND-1 GMP manufacturer or CEND-1 GMP API supplier for your needs.

CEND-1 CoA

A CEND-1 CoA (Certificate of Analysis) is a formal document that attests to CEND-1's compliance with CEND-1 specifications and serves as a tool for batch-level quality control.

CEND-1 CoA mostly includes findings from lab analyses of a specific batch. For each CEND-1 CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

CEND-1 may be tested according to a variety of international standards, such as European Pharmacopoeia (CEND-1 EP), CEND-1 JP (Japanese Pharmacopeia) and the US Pharmacopoeia (CEND-1 USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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