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58970-76-6

Basic Information
CAS No.: 58970-76-6
Name: Bestatin
Article Data: 22
Molecular Structure:
Molecular Structure of 58970-76-6 (Bestatin)
Formula: C16H24N2O4
Molecular Weight: 308.378
Synonyms: L-Leucine,N-(3-amino-2-hydroxy-1-oxo-4-phenylbutyl)-, [S-(R*,S*)]-;(-)-Bestatin;Bestatin;NK 421;NSC 265489;Ubenimex;
EINECS: 261-529-2
Density: 1.197 g/cm3
Melting Point: 245 °C (dec.)(lit.)
Boiling Point: 604.7 °C at 760 mmHg
Flash Point: 319.5 °C
Solubility: Soluble in water (<1 25), DMSO (2 mg/ml), methanol (5 mg/ml), 1eq. NaOH (50 mM), ethanol (<1 mg/ml at 25°C), acetic acid, aq. HCl, and alkaline solution. Insoluble in ethyl acetate, benzene, hexane, and chloroform.
Appearance: white powder
Safety: 22-24/25
PSA: 112.65000
LogP: 1.62400
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  • Casno:

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    Bestatin;[S-(R*,S*)]-N-(3-Amino-2-hydroxy-1-oxo-4-phenylbuty1)-L-leucine;Ubenimex.99%

    Min.Order: 1 Metric Ton

    FOB Price:  USD $ 0.0-0.0

    High quality, competitive price, fast delivery and first-class service we possesses have won the trust and praise of customers. Standard: BP/USP/EP The purity is equal or greater than 99%. As a supplier, we can provide high-quality products. Cle

    Henan Kanbei Chemical Co., Ltd. is a modern high-tech chemical enterprise integrating R&D, production and sales. The company has strong technical strength, advanced equipment, stri

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  • Best Quality Ubenimex

  • Casno:

    58970-76-6

    Best Quality Ubenimex

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0

    Product name: Ubenimex CAS No.:58970-76-6 Molecule Formula:C16H24N2O4 Molecule Weight:308.37 Purity: 98.5% Package: 25kg/drum Description: White crystalline powder Manufacture Standards:CP/JP TESTING ITEMS

    Siwei Development Group Ltd. is a reputed professional enterprise in China dedicated to the Amino Acids production and sales of fine chemical products.Over the years we have been m

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  • Ubenimex

  • Casno:

    58970-76-6

    Ubenimex

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 100.0-100.0

    API name: Ubenimex; CAS No.: 58970-76-6 Chemical name: N-[(2S,3R)-3-AMino-2-hydroxy-4-phenylbutyryl]-L-leucine [S-(R*,S*)]-N-(3-Amino-2-hydroxy-1-oxo-4-phenylbuty1)-L-leucine Formula: C16H24N2O4 Structure: Appearance:White to Off-white

    Hangzhou JINLAN Pharm-Drugs Technology Co., Ltd (JL Pharm) is established in 2012 at the beautiful West Lake – Hangzhou city, China. The company's main business includes R&D, Produ

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  • Ubenimex

  • Casno:

    58970-76-6

    Ubenimex

    Min.Order: 100 Gram

    FOB Price:  USD $ 0.0-0.0

    We have most reliable quality, competitive prices and full documents for this APIs 1. GMP WORKSHOP 2. DMF Appearance:White Storage:2-8°C Application:Ubenimex is a competitive aminopeptidase B inhibitor with an IC50 of 100 mg/ml fo

    Senova Tech is a leading supplier for APIs (mainly for new generics), advanced intermediates and related products based in China, our headquarter office locates in Shenzhen (a city

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  • Bestatin

  • Casno:

    58970-76-6

    Bestatin

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, s

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    Address:shandong

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  • L-Leucine,N-[(2S,3R)-3-amino-2-hydroxy-1-oxo-4-phenylbutyl]-

  • Casno:

    58970-76-6

    L-Leucine,N-[(2S,3R)-3-amino-2-hydroxy-1-oxo-4-phenylbutyl]-

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

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  • Ubenimex

  • Casno:

    58970-76-6

    Ubenimex

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0

    Why choice me: √1, We guarantee deeply analyze and demonstrate, purity more than 99% √ 2, Factory outlet with priority price & large stock. √ 3, Special magic vacuum safe package & safe shipping way.All parcel shi

    Zibo Dorne chemical technology co., LTD. Is a comprehensive chemical enterprise integrating r&d, production and sales. It is a leading manufacturer and supplier of chemical product

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Specification

The Bestatin is an organic compound with the formula C16H24N2O4. The IUPAC name of this chemical is (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid. With the CAS registry number 58970-76-6, it is also named as 2-(3-Amino-2-hydroxy-4-phenyl-butyrylamino)-4-methyl-pentanoic acid. The product's categories are Active Pharmaceutical Ingredients; Ubenimex. Besides, it is a white powder, which should be stored at temperature of 2 - 8 °C. It is a competitive protease inhibitor and is being studied for use in the treatment of acute myelocytic leukemia. When you are using it, do not breathe dust and avoid contact with skin and eyes.

Physical properties about Bestatin are: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): -0.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.08; (8)ACD/KOC (pH 7.4): 1.28; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 59.08 Å2; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 82.95 cm3; (15)Molar Volume: 257.5 cm3; (16)Polarizability: 32.88×10-24cm3; (17)Surface Tension: 52.1 dyne/cm; (18)Density: 1.197 g/cm3; (19)Flash Point: 319.5 °C; (20)Enthalpy of Vaporization: 94.54 kJ/mol; (21)Boiling Point: 604.7 °C at 760 mmHg; (22)Vapour Pressure: 1.8E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(NC(=O)C(O)C(N)Cc1ccccc1)CC(C)C
(2)InChI: InChI=1/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)
(3)InChIKey: VGGGPCQERPFHOB-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)
(5)Std. InChIKey: VGGGPCQERPFHOB-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD oral > 1200mg/kg (1200mg/kg)   Japanese Journal of Antibiotics. Vol. 36, Pg. 2971, 1983.
mouse LD oral > 4gm/kg (4000mg/kg)   Japanese Journal of Antibiotics. Vol. 36, Pg. 2971, 1983.
mouse LD50 intraperitoneal 190mg/kg (190mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Japanese Journal of Antibiotics. Vol. 36, Pg. 2971, 1983.
mouse LD50 subcutaneous 1300mg/kg (1300mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Japanese Journal of Antibiotics. Vol. 36, Pg. 2971, 1983.
rat LD oral > 2gm/kg (2000mg/kg)   Japanese Journal of Antibiotics. Vol. 36, Pg. 2971, 1983.
rat LD50 intraperitoneal 780mg/kg (780mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Japanese Journal of Antibiotics. Vol. 36, Pg. 2971, 1983.
rat LD50 subcutaneous 1900mg/kg (1900mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Japanese Journal of Antibiotics. Vol. 36, Pg. 2971, 1983.