Fmoc-lle-OH - ≥99% , CAS No.71989-23-6

CAS: 71989-23-6 Cat. No.: F105470 Molecular Weight: 353.41 Beilstein Registry Number: 4716717 EC Number: 276-255-9

GRADE & PURITY ≥99%

Synonyms

EN300-74033 | BRD-K24518485-001-01-0 | fluoren-9-ylmethyl N-(1-carboxy-2-methylbutyl)carbamate | Z1123720061 | N-.alpha.-Fmoc-L-isoleucine | N-Fmoc-Ile-OH ( N-Fmoc-L-isoleucine) | DTXSID801315561 | Fmoc-L-isoleucine | SCHEMBL119497 | L-Isoleucine, N-[(9H-

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

application：

N-Fmoc-L-isoleucine is an unnatural amino acid used for peptidomimetics. It is also used as a pharmaceutical intermediate

Specifications

Synonyms

EN300-74033 | BRD-K24518485-001-01-0 | fluoren-9-ylmethyl N-(1-carboxy-2-methylbutyl)carbamate | Z1123720061 | N-.alpha.-Fmoc-L-isoleucine | N-Fmoc-Ile-OH ( N-Fmoc-L-isoleucine) | DTXSID801315561 | Fmoc-L-isoleucine | SCHEMBL119497 | L-Isoleucine, N-[(9H-

Specifications & Purity

≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504760905
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760905
• Canonical Smiles: CC[C@H](C)[C@H](NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C31)C(=O)O
• IUPAC Name: (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoic acid
• InChIKey: QXVFEIPAZSXRGM-DJJJIMSYSA-N
• INCHI: 1S/C21H23NO4/c1-3-13(2)19(20(23)24)22-21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,3,12H2,1-2H3,(H,22,25)(H,23,24)/t13-,19-/m0/s1
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• WGK Germany: 3
• Molecular Weight: 353.41
• Beilstein: 4716717
• Reaxy-Rn: 8159893
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8159893&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Isoleucine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Isoleucine and derivatives
• Alternative Parents: Fluorenes Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Isoleucine or derivatives - Fluorene - Benzenoid - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as isoleucine and derivatives. These are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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SW480 (6023 Activities)

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HCT-116 (91556 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

Discover Target: HSD17B10

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

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CCD-841CoN (99 Activities)

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Associated Targets(non-human)

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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surA Chaperone SurA (18 Activities)

Discover Target: surA

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in methanol (very faint turbidity).
• Specific Rotation[α]: -12±1°, c = 1% in DMF
• Melt Point(°C): 144-149°C
• Molecular Weight: 353.400 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 353.163 Da
• Monoisotopic Mass: 353.163 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 486.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Zhanpeng Ren, Jianying Wang, Chenglong Xue, Minghua Deng, Haiyang Yu, Tianci Lin, Jiayuan Zheng, Rongxiang He, Xianbao Wang, Jinhua Li.  (2023)  Ultrahighly Sensitive and Selective Glutathione Sensor Based on Carbon Dot-Functionalized Solution-Gate Graphene Transistor.  ANALYTICAL CHEMISTRY,      [PMID:37971943] [10.1021/acs.analchem.3c03656]

2. Wei Cheng, Haijing Qu, Jiaojiao Yang, Han Chen, Yuqing Pan, Zhiran Duan, Xiangdong Xue.  (2025)  Hierarchically Engineered Self-Adaptive Nanoplatform Guided Intuitive and Precision Interventions for Deep-Seated Glioblastoma.  ACS Nano,      [PMID:39754309] [10.1021/acsnano.4c11006]

3. Wei Cheng, Jiaojiao Yang, Yuqing Pan, Haijing Qu, Zhiran Duan, Jie Wu, Han Chen, Chao Wang, Xiangdong Xue.  (2025)  Noninvasive Activation of Local and Systemic Immunity with a Sequential-Targeting Sonodynamic Nanovaccine to Treat Glioblastoma.  ACS Nano,      [PMID:40698543] [10.1021/acsnano.5c08928]