Nerofe
Also known as Tcapf, Trp-Trp-Thr-Phe-Phe-Leu-Pro-Ser-Thr-Leu-Trp-Glu-Arg-Lys, (all d)-, Tumor-cells apoptosis factor
Key facts
What buyers check first
What is Nerofe?
Plain description, key identifiers and synonyms
Tumor-Cells Apoptosis Factor Hormone-Peptide is a synthetic 14-amino acid peptide derived from a novel human peptide hormone, Tumor-Cells Apoptosis Factor (TCApF), with potential antineoplastic activity. Upon intravenous administration, tumor-cells apoptosis factor hormone-peptide binds to the T1/ST2 receptor (IL1RL1) and activates both caspase 8 and Bcl-2 mediated apoptosis, in addition to the activation of p38 MAPK and JNK signaling cascades in tumor cells. Furthermore, this agent inhibits angiogenesis by suppressing the expressions of vascular endothelial growth factor A (VEGFA) and fms-related tyrosine kinase 1 (VEGFR1). Tumor-cells apoptosis factor hormone-peptide also modulates immune system responses via increasing the expressions of interleukin-10 and anti-angiogenic interleukin. T1/ST2 receptor, a member of the toll/interleukin-1 receptor superfamily, is overexpressed in certain cancer cells.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoic acid
- CAS number
- 1311294-45-7
- Molecular formula
- C96H129N21O20
- InChIKey
- FNQVICDIQNFNHD-AXBBNSRTSA-N
- InChI
- InChI=1S/C96H129N21O20/c1-52(2)41-71(85(126)110-74(46-59-49-103-66-31-17-14-28-62(59)66)88(129)106-69(36-37-79(121)122)84(125)105-68(34-21-39-101-96(99)100)83(124)107-70(95(136)137)33-19-20-38-97)111-92(133)81(55(6)120)116-90(131)77(51-118)114-91(132)78-35-22-40-117(78)94(135)76(42-53(3)4)113-87(128)72(43-56-23-9-7-10-24-56)109-86(127)73(44-57-25-11-8-12-26-57)112-93(134)80(54(5)119)115-89(130)75(47-60-50-104-67-32-18-15-29-63(60)67)108-82(123)64(98)45-58-48-102-65-30-16-13-27-61(58)65/h7-18,23-32,48-50,52-55,64,68-78,80-81,102-104,118-120H,19-22,33-47,51,97-98H2,1-6H3,(H,105,125)(H,106,129)(H,107,124)(H,108,123)(H,109,127)(H,110,126)(H,111,133)(H,112,134)(H,113,128)(H,114,132)(H,115,130)(H,116,131)(H,121,122)(H,136,137)(H4,99,100,101)/t54-,55-,64-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,80-,81-/m1/s1
- Canonical SMILES
- CC(C)CC(NC(=O)C(NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)Cc1c[nH]c2ccccc12)C(C)O)C(C)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)O
- Isomeric SMILES
- C[C@H]([C@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@H](CC(C)C)C(=O)N3CCC[C@@H]3C(=O)N[C@H](CO)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)O)NC(=O)[C@@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@@H](CC8=CNC9=CC=CC=C98)N)O
Synonyms
- Tcapf
- Trp-Trp-Thr-Phe-Phe-Leu-Pro-Ser-Thr-Leu-Trp-Glu-Arg-Lys, (all d)-
- Tumor-cells apoptosis factor
- Wwtfflpstlwerk, (all d)-
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 | 1,897.22 g/molcalc.Computed value |
|---|---|
| Exact mass | 1,895.9723 Dacalc.Computed value |
| LogP (octanol/water) | -0.03calc.Computed value |
| Topological polar surface area | 666.1 Ųcalc.Computed value |
| Hydrogen bond donors | 25calc.Computed value |
| Hydrogen bond acceptors | 21calc.Computed value |
| Rotatable bonds | 54calc.Computed value |
| Heavy atoms | 137calc.Computed value |
| Rings | 9calc.Computed value |
| Aromatic rings | 8calc.Computed value |
| Fraction sp3 carbons | 0.46calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 16calc.Computed value |
| Lipinski rule of five | Fails (3 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=C(CNC(=O)CNC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCc1c[nH]c2ccccc12)NCCc1c[nH]c2ccccc12
9 rings, 88 atoms.
1 other chemical share this scaffoldSafety 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.
Nerofe suppliers
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Nerofe price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.
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 Nerofe is traded under.
Heterocyclic compounds with nitrogen hetero-atom(s) only, other
- Slovenia31.7%
- Italy24.2%
- United States5.0%
* Partner reported figures, a lower bound.
The HS code shown for Nerofe is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Nerofe, based on the data on this page
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Guides for buyers
Practical guides that help when you source, ship or handle Nerofe
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
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