Peptide histidine isoleucine

Basic Information

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CAS Number

96849-38-6

Molecular Formula

C136H216N36O41

Molecular Weight

3011.39 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

Physical State

No data avaiable

Melting Point

No data available

Boiling Point

966.5±65.0 °C at 760 mmHg

Density

1.45±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

538.3±34.3 °C

Vapor Pressure

0.0±0.6 mmHg at 25°C

SMILES

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CCC(C)C(C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)C)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CC4=CN=CN4)N

InChI

InChI=1S/C136H216N36O41/c1-18-71(13)108(111(141)189)170-127(205)91(51-69(9)10)160-131(209)99(63-175)165-120(198)87(42-44-104(183)184)155-122(200)89(49-67(5)6)159-124(202)92(53-77-33-37-80(178)38-34-77)161-118(196)84(31-24-26-46-138)153-117(195)83(30-23-25-45-137)152-112(190)74(16)150-129(207)97(61-173)167-134(212)109(72(14)19-2)171-121(199)86(41-43-101(140)180)151-102(181)59-146-115(193)88(48-66(3)4)157-123(201)90(50-68(7)8)158-119(197)85(32-27-47-145-136(142)143)154-130(208)98(62-174)166-125(203)93(54-78-35-39-81(179)40-36-78)162-126(204)96(57-106(187)188)163-132(210)100(64-176)168-135(213)110(75(17)177)172-128(206)94(52-76-28-21-20-22-29-76)164-133(211)107(70(11)12)169-103(182)60-147-116(194)95(56-105(185)186)156-113(191)73(15)149-114(192)82(139)55-79-58-144-65-148-79/h20-22,28-29,33-40,58,65-75,82-100,107-110,173-179H,18-19,23-27,30-32,41-57,59-64,137-139H2,1-17H3,(H2,140,180)(H2,141,189)(H,144,148)(H,146,193)(H,147,194)(H,149,192)(H,150,207)(H,151,181)(H,152,190)(H,153,195)(H,154,208)(H,155,200)(H,156,191)(H,157,201)(H,158,197)(H,159,202)(H,160,209)(H,161,196)(H,162,204)(H,163,210)(H,164,211)(H,165,198)(H,166,203)(H,167,212)(H,168,213)(H,169,182)(H,170,205)(H,171,199)(H,172,206)(H,183,184)(H,185,186)(H,187,188)(H4,142,143,145)

InChIKey

XMZALCKNICOABK-UHFFFAOYSA-N

LogP

-12.304930000000027

Topological Polar Surface Area

1264.9299999999998 Å²

Hydrogen Bond Donor/Acceptor

51 / 77

Complexity

6750

Safety Information

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Hazard Statement

Synonyms & References

English

Rat PHI
Rat PHI-27
L-Isoleucinamide,L-histidyl-L-alanyl-L-a-aspartylglycyl-L-valyl-L-phenylalanyl-L-threonyl-L-seryl-L-a-aspartyl-L-tyrosyl-L-seryl-L-arginyl-L-leucyl-L-leucylglycyl-L-glutaminyl-L-isoleucyl-L-seryl-L-alanyl-L-lysyl-L-lysyl-L-tyrosyl-L-leucyl-L-a-glutamyl-L-
Peptide histidine isoleucine
H-HIS-ALA-ASP-GLY-VAL-PHE-THR-SER-ASP-TYR-SER-ARG-LEU-LEU-GLY-GLN-ILE-SER-ALA-LYS-LYS-TYR-LEU-GLU-SER-LEU-ILE-NH2
Mouse PHI
Rat peptide histidine isoleucine
his-ala-asp-gly-val-phe-thr-ser-asp-tyr-ser-arg-leu-leu-gly-gln-ile-ser-ala-lys-lys-tyr-leu-glu-ser-leu-ile-nh2
L-Isoleucinamide,L-histidyl-L-alanyl-L-a-aspartylglycyl-L-valyl-L-phenylalanyl-L-threonyl-L-seryl-L-a-aspartyl-L-tyrosyl-L-seryl-L-arginyl-L-leucyl-L-leucylglycyl-L-glutaminyl-L-isoleucyl-L-seryl-L-alanyl-L-lysyl-L-lysyl-L-tyrosyl-L-leucyl-L-a-glutamyl-L-seryl-L-leucyl- (9CI)
PHI-27 from rat
L-Isoleucinamide,L-histidyl-L-alanyl-L-a-aspartylglycyl-L-valyl-L-phenylalanyl-L-threonyl-L-se...
L-Isoleucinamide,L-histidyl-L-alanyl-L-a-aspartylglycyl-L-valyl-L-phenylalanyl-L-threonyl-L-seryl-L-a-aspartyl-L-tyrosyl-L-se
Peptide histidine isoleucine, rat
PHI-27 (RAT)
φ-27 (RAT)
H-His-Ala-Asp-Gly-Val-Phe-Thr-Ser-Asp-Tyr-Ser-Arg-Leu-Leu-Gly-Gln-Ile-Ser-Ala-Lys-Lys-Tyr-Leu-Glu-Ser-Leu-Ile-NH2
PHI 27
PHI 27 (rat)
L-Histidyl-L-alanyl-L-α-aspartylglycyl-L-valyl-L-phenylalanyl-L-threonyl-L-seryl-L-α-aspartyl-L-tyrosyl-L-seryl-L-arginyl-L-leucyl-L-leucylglycyl-L-glutaminyl-L-isoleucyl-L-seryl-L-alanyl-L-lysyl-L-lysyl-L-tyrosyl-L-leucyl-L-α-glutamyl-L-seryl-L-leucyl-L-isoleucinamide (ACI)
L
Peptide PHI
DA-56811
96849-38-6
PHI-27 (rat)
CCRIS 7230

MDL Number

MFCD00133764

FAQ

What are the physical and chemical properties of Peptide histidine isoleucine (CAS: 96849-38-6)?

Peptide histidine isoleucine (CAS: 96849-38-6) is an amphoteric peptide. It has a molecular weight of approximately 332.4 Da and a pI of 7.6. This compound is soluble in water and slightly soluble in organic solvents. It shows moderate reactivity towards nucleophiles and electrophiles, making it useful in peptide synthesis and biological studies.

How is Peptide histidine isoleucine (CAS: 96849-38-6) typically synthesized?

Peptide histidine isoleucine (CAS: 96849-38-6) is synthesized via solid-phase peptide synthesis (SPPS) using Fmoc chemistry. Commonly, the Fmoc-histidine and Fmoc-isoleucine building blocks are coupled sequentially on a solid support, followed by deprotection and cleavage from the support. Catalytic amounts of HOBt and DIC are used to enhance coupling efficiency and reduce side products.

What industries use Peptide histidine isoleucine (CAS: 96849-38-6)?

Peptide histidine isoleucine (CAS: 96849-38-6) is primarily used in the pharmaceutical and biotechnology industries. It is employed in drug discovery, as a component of peptide libraries, and for the development of therapeutic peptides. This compound also finds applications in the polymer industry as a functional monomer and in sensor technology for specific molecular recognition.

What precautions should be taken when handling Peptide histidine isoleucine (CAS: 96849-38-6)?

When handling Peptide histidine isoleucine (CAS: 96849-38-6), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risk. Spills should be cleaned up using appropriate absorbents, and the area should be thoroughly washed down. Always refer to the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.