[D-Trp7,9,10]-Substance P

Basic Information

View in Editor

CAS Number

89430-38-6

Molecular Formula

C79H105N21O13S

Molecular Weight

1588.88 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

View in Editor

CSCCC(C(=O)N)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CC6=CNC7=CC=CC=C76)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C8CCCN8C(=O)C(CCCCN)NC(=O)C9CCCN9C(=O)C(CCCNC(=N)N)N

InChI

InChI=1S/C79H105N21O13S/c1-114-37-32-56(68(84)103)91-72(107)61(39-46-42-88-53-22-8-5-18-49(46)53)98-74(109)63(41-48-44-90-55-24-10-7-20-51(48)55)97-71(106)60(38-45-16-3-2-4-17-45)95-73(108)62(40-47-43-89-54-23-9-6-19-50(47)54)96-70(105)57(28-30-66(82)101)92-69(104)58(29-31-67(83)102)93-75(110)65-27-15-36-100(65)78(113)59(25-11-12-33-80)94-76(111)64-26-14-35-99(64)77(112)52(81)21-13-34-87-79(85)86/h2-10,16-20,22-24,42-44,52,56-65,88-90H,11-15,21,25-41,80-81H2,1H3,(H2,82,101)(H2,83,102)(H2,84,103)(H,91,107)(H,92,104)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,106)(H,98,109)(H4,85,86,87)/t52-,56-,57-,58-,59-,60-,61+,62+,63+,64-,65-/m0/s1

InChIKey

ZDXXOQXJCDHSRG-GGDSLUOHSA-N

LogP

-0.2495300000000319

Topological Polar Surface Area

563.9999999999999 Å²

Hydrogen Bond Donor/Acceptor

25 / 34

Complexity

3300

Synonyms & References

English

L-Methioninamide,L-arginyl-L-prolyl-L-lysyl-L-prolyl-L-glutaminyl-L-glutaminyl-D-tryptophyl-L-phenylalanyl-D-tryptophyl-D-tryptophyl-
[D-TRP7,9,10]-SUBSTANCE P
GP ANTAGONIST-2A
L-Methioninamide,L-arginyl-L-prolyl-L-lysyl-L-prolyl-L-glutaminyl-L-glutaminyl-D-tryptophyl-L-...
L-Methioninamide,L-arginyl-L-prolyl-L-lysyl-L-prolyl-L-glutaminyl-L-glutaminyl-D-tryptophyl-L-phenylalanyl-D-tryptophyl-D-try
Arg-Pro-Lys-Pro-Gln-Gln-D-Trp-Phe-D-Trp-D-Trp-Met-NH2
L-Arginyl-L-prolyl-L-lysyl-L-prolyl-L-glutaminyl-L-glutaminyl-D-tryptophyl-L-phenylalanyl-D-tryptophyl-D-tryptophyl-L-methioninamide (ACI)
Substance P, 7-D-tryptophan-9-D-tryptophan-10-D-tryptophan- (9CI)
44: PN: WO2007058336 PAGE: 57 claimed protein
[D-Trp7,9,10]-Substance P
89430-38-6
PD079181
DA-48937
AKOS024456828
[D-Trp7,9,10]-Substance P TFA

MDL Number

MFCD08703161

FAQ

What are the physical and chemical properties of [D-Trp7,9,10]-Substance P (CAS: 89430-38-6)?

[D-Trp7,9,10]-Substance P (CAS: 89430-38-6) is a crystalline peptide with a molecular weight of approximately 1,072 Da. It is sparingly soluble in water and has a pKa of around 8.5. This compound exhibits high reactivity with carboxypeptidase A and is stable under normal storage conditions but degrades under alkaline conditions.

How is [D-Trp7,9,10]-Substance P (CAS: 89430-38-6) typically synthesized?

[D-Trp7,9,10]-Substance P (CAS: 89430-38-6) is synthesized via solid-phase peptide synthesis using Fmoc chemistry. Commonly, the peptide is assembled using a 9-fluorenylmethoxycarbonyl (Fmoc) strategy, with selective deprotection and coupling steps. The final product is then cleaved from the resin using trifluoroacetic acid (TFA) and purified by HPLC or other chromatographic methods.

What industries use [D-Trp7,9,10]-Substance P (CAS: 89430-38-6)?

[D-Trp7,9,10]-Substance P (CAS: 89430-38-6) is primarily used in the pharmaceutical industry for research and development of analgesic and anti-inflammatory drugs. It is also utilized in the biochemical and biotechnology sectors for studying receptor binding and signaling pathways. Additionally, this compound may have applications in the sensor and semiconductor industries due to its unique physicochemical properties.

What precautions should be taken when handling [D-Trp7,9,10]-Substance P (CAS: 89430-38-6)?

When handling [D-Trp7,9,10]-Substance P (CAS: 89430-38-6), ensure the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work within a fume hood to minimize inhalation risks. Spills should be cleaned up with caution, using absorbent materials, and disposing of waste according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling procedures and emergency response guidelines.