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rebastinib mesylate

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Identification
Molecular formula
C24H30N4O8S
CAS number
1588525-02-1
IUPAC name
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzamidine;2-hydroxyethanesulfonic acid
State
State

Rebastinib mesylate is typically in a solid state at room temperature, appearing as a powder with potential slight variation in texture and color depending on specific conditions and purity.

Melting point (Celsius)
220.00
Melting point (Kelvin)
493.15
Boiling point (Celsius)
545.50
Boiling point (Kelvin)
818.65
General information
Molecular weight
568.63g/mol
Molar mass
568.6300g/mol
Density
1.4000g/cm3
Appearence

Rebastinib mesylate typically appears as a white to off-white powder. It may vary slightly in form and color depending on purity and specific manufacturing processes.

Comment on solubility

Solubility of 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzamidine; 2-hydroxyethanesulfonic acid

The solubility of the compound 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzamidine; 2-hydroxyethanesulfonic acid is influenced by various factors including its chemical structure and the environment in which it is dissolved. Understanding the solubility characteristics can be quite intriguing.

Factors Affecting Solubility:

  • Polarity: The presence of functional groups such as sulfonic acids and carbamimidoyl can impart a degree of polarity, which may enhance interaction with polar solvents like water.
  • Hydrogen Bonding: The ability of the compound to form hydrogen bonds with solvent molecules can greatly enhance solubility. In aqueous solutions, this is a pivotal interaction that often dictates the extent to which a compound will dissolve.
  • Temperature: As with many compounds, solubility tends to increase with temperature. This can be attributed to enhanced kinetic energy allowing more effective solvation.
  • pH Level: Since the compound comprises a sulfonic acid moiety, changes in pH could lead to protonation or deprotonation, which can significantly influence solubility.

While the exact solubility of 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzamidine; 2-hydroxyethanesulfonic acid may require experimental determination, one can predict the solubility in aqueous environments might be favorable due to the presence of polar groups. As noted, solubility can vary widely, and further experiments would provide a comprehensive understanding of this compound's behavior in different solvents.

Interesting facts

Interesting Facts About 4-[5-(4-Carbamimidoylphenoxy)pentoxy]benzamidine; 2-Hydroxyethanesulfonic Acid

This compound presents a fascinating blend of molecular structures and functional groups, showcasing how chemical synthesis can produce compounds with specific biological activities. The first part of the compound, 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzamidine, is notable for its potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting various diseases, including but not limited to cancer and autoimmune disorders.

Here are some interesting aspects of this compound:

  • Multi-functional Design: The presence of both a benzamidine core and a carbamimidoyl group indicates that this compound could interact with biological targets such as enzymes or receptors, enhancing its therapeutic potential.
  • Sulfonic Acid Group: The second part of the compound, 2-hydroxyethanesulfonic acid, adds solubility and may improve the bioavailability of the entire compound, making it more effective in biological applications.
  • Structure Activity Relationships: Understanding how each component contributes to the compound's overall activity is crucial for optimizing its effectiveness. The design of the molecule invites exploration of structure-activity relationships (SAR), which is a fundamental aspect of drug development.

This compound exemplifies modern chemists' ingenuity in creating molecules that can navigate the complexities of biological systems. As a student of chemistry, one might ponder the process from theoretical design to practical application, highlighting how chemistry bridges the gap between science and healthcare.

In conclusion, the study of 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzamidine; 2-hydroxyethanesulfonic acid not only enriches our understanding of chemical compounds but also underscores the endless potential of chemistry in improving human health.

Synonyms
PENTAMIDINE ISETHIONATE
140-64-7
4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate)
Pentamidine diisethionate
Pentamidine isethionate salt
Pentamidine isetionate
Pentacarinat
Nebupent
Pentamidine diisetionate
Lomidin
Pneumopent
Pentamidine (isethionate)
Lomidine isoethionate
Pentamidine isothionate
RP 2512
4,4'-(Pentamethylenedioxy)dibenzamidine bis(2-hydroxyethanesulfonate)
UNII-V2P3K60DA2
USAF XR-10
OCZ103-OS
Diamidine
CCRIS 1660
CHEBI:7977
V2P3K60DA2
DTXSID5023796
EINECS 205-424-1
MB 800
MFCD00079213
NSC-620107
NSC-757400
WR 4931
1,5-Bis(p-amidinophenoxy)pentane bis(2-hydroxyethanesulfonate salt)
4,4'-Diamidino-alpha,omega-diphenoxypentane isethionate
2512 R.P.
M & B 800
R.P. 2512
DTXCID803796
4,4'-Diamidinodiphenoxypentane di(beta-hydroxyethanesulfonate)
p,p'-(Pentamethylenedioxy)dibenzamidine bis(beta-hydroxyethanesulfonate)
Pentamidine isethionate [USAN:USP]
NSC 620107
NSC 757400
NCGC00017022-05
CAS-140-64-7
4,4'-(Pentamethylenedioxy)-dibenzamidine bis(2-hydroxyethanesulfonate)
PENTAMIDINE BIS(2-HYDROXYETHANESULFONATE)
Pentamidine isetionate (JAN)
Pentamidine isethionate (USAN:USP)
PENTAMIDINE ISETIONATE [JAN]
Benzamidine, 4,4'-(pentamethylenedioxy)di-, bis(beta-hydroxyethanesulfonate)
PENTAMIDINE ISETIONATE (MART.)
PENTAMIDINE ISETIONATE [MART.]
4,4'-(PENTANE-1,5-DIYLBIS(OXY))DIBENZIMIDAMIDE BIS(2-HYDROXYETHANESULPHONATE)
PENTAMIDINE ISETHIONATE (USP-RS)
PENTAMIDINE ISETHIONATE [USP-RS]
4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate);4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate)
PENTAM
Pentaminide isetionate
NSC620107
PENTAMIDINE DIISETIONATE (EP IMPURITY)
PENTAMIDINE DIISETIONATE [EP IMPURITY]
PENTAMIDINE DIISETIONATE (EP MONOGRAPH)
PENTAMIDINE DIISETIONATE [EP MONOGRAPH]
PENTAMIDINE ISETHIONATE (USP MONOGRAPH)
PENTAMIDINE ISETHIONATE [USP MONOGRAPH]
C23H36N4O10S2
SR-01000075174
Pentamidine isethionate [USAN]
4,4'-(pentane-1,5-diylbis(oxy))dibenzenecarboximidamide bis(2-hydroxyethylsulfonate)
4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide bis(2-hydroxyethanesulfonic acid)
4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide bis(2-hydroxyethylsulfonate)
(pentane-1,5-diylbis(oxy-4,1-phenylene))bis(aminomethaniminium) bis(2-hydroxyethanesulfonate)
[pentane-1,5-diylbis(oxy-4,1-phenylene)]bis(aminomethaniminium) bis(2-hydroxyethanesulfonate)
Prestwick_857
Pentamidini isetionas
Pentamidin-Isethionat
Pentam 300 (TN)
SCHEMBL33615
4,4'-(pentamethylenedioxy)dibenzamidine bis(2-hyd
SPECTRUM1500641
Pentamidine isethionate (USP)
CHEMBL361506
HY-B0537BR
HMS501D11
HY-B0537B
YBVNFKZSMZGRAD-UHFFFAOYSA-N
HMS1569P07
HMS1921M19
HMS2096P07
HMS3713P07
PENTAMIDINE ISETHIONATE [MI]
Pentamidine isethionate salt, powder
Tox21_110742
Tox21_201722
Tox21_300312
2512RP
CCG-39715
Pentamidine (isethionate) (Standard)
s4007
AKOS015914189
Tox21_110742_1
CS-4133
FP46337
KS-5289
PENTAMIDINE ISETHIONATE [VANDF]
PENTAMIDINE ISETIONATE [WHO-IP]
PENTAMIDINE ISETHIONATE [WHO-DD]
NCGC00017022-01
NCGC00017022-02
NCGC00017022-03
NCGC00017022-04
NCGC00091927-01
NCGC00091927-02
NCGC00091927-03
NCGC00091927-04
NCGC00179034-07
NCGC00254121-01
NCGC00259271-01
bis(2-hydroxyethane-1-sulfonic acid); 4-{[5-(4-carbamimidoylphenoxy)pentyl]oxy}benzene-1-carboximidamide
PENTAMIDINE 2-HYDROXYETHANESULFONATE
PENTAMIDINE 2-HYDROXYETHANESULPHONATE
NS00076326
PENTAMIDINE ISETHIONATE [ORANGE BOOK]
PENTAMIDINI ISETIONAS [WHO-IP LATIN]
1,5-Bis(4-amidinophenoxy)pentane Diisethionate
C72610
D00834
EN300-123966
SR-01000075174-1
SR-01000075174-6
SR-01000075174-7
Q26841221
Z1557400297
4,4'-(PENTAMETHYLENEDIOXY)DIBENZAMIDINE ISETHIONATE
4,4'-DIAMIDINO-ALPHA,OMEGA-DIPHENOXYPENTANE DIISETHIONATE
BENZAMIDINE, 4,4'-(PENTAMETHYLENEDIOXY)DI-, DIISETHIONATE
4,4'-(1,5-PENTANEDIYLBIS(OXY))BISBENZENECARBOXIMIDAMIDE ISETHIONATE
4,4'-(PENTAMETHYLENEDIOXY)DIBENZAMIDINE 2-HYDROXYETHANESULFONATE
4,4'-(PENTAMETHYLENEDIOXY)DIBENZAMIDINE DI(2-HYDROXYETHANESULFONATE)
Pentamidine diisetionate, European Pharmacopoeia (EP) Reference Standard
Pentamidine isethionate, United States Pharmacopeia (USP) Reference Standard
4,4'-(1,5-PENTANEDIYLBIS(OXY))BISBENZENECARBOXIMIDAMIDE 2-HYDROXYETHANE-SULFONATE
4,4'-(PENTAMETHYLENEDIOXY)DIBENZAMIDINE BIS(BETA-HYDROXYETHANESULFONATE)
4,4'-(pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethane-1-sulfonate)
4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamidebis(2-hydroxyethanesulfonate)
2-HYDROXYETHANESULFONIC ACID COMPOUND WITH 4,4'-(1,5-PENTANEDIYLBIS(OXY))-BIS(BENZENECARBOXIMIDAMIDE) (2:1)
2-HYDROXYETHANESULFONIC ACID COMPOUND WITH 4,4'-(PENTAMETHYLENEDIOXY)-DIBENZAMIDINE (2:1)
4,4'-(1,5-PENTANEDIYLBIS(OXY))BISBENZENECARBOXIMIDAMIDE BIS(2-HYDROXY-ETHANESULFONATE)
BENZENECARBOXIMIDAMIDE, 4,4'-(1,5-PENTANEDIYLBIS(OXY))BIS-, BIS(2-HYDROXYETHANESULFONATE)
ETHANESULFONIC ACID, 2-HYDROXY-, COMPOUND WITH 4,4'-(PENTAMETHYLENEDIOXY)DIBENZAMIDINE (2:1)